Recent Publications

Publications (2023)

A. Plech, M. Tack, H. Huang, M. Arefev, A. R. Ziefuss, M. Levantino, H. Karadas, C. Chen, L. V. Zhigilei, and S. Reichenberger, Physical regimes and mechanisms of picosecond laser fragmentation of gold nanoparticles in water from X-ray probing and atomistic simulations, ACS Nano 18, 10527-10541, 2024.
Full Text: PDF, doi: 10.1021/acsnano.3c12314, Supplementary Information
C. Chen and L. V. Zhigilei, Atomistic modeling of pulsed laser ablation in liquid: spatially and time-resolved maps of transient nonequilibrium states and channels of nanoparticle formation, Appl. Phys. A 129, 288, 2023.
Full Text: PDF, doi: 10.1007/s00339-023-06525-0
M. He, M. I. Arefev, K. Joshi, and L. V. Zhigilei, Atomistic modeling of tensile deformation and fracture of carbon fibers: Nanoscale stress redistribution, effect of local structural characteristics and nanovoids, Carbon 202, 528-546, 2023.
Full Text: PDF, doi: 10.1016/j.carbon.2022.10.092

Publications (2022)

M. I. Arefev, M. V. Shugaev, and L. V. Zhigilei, Kinetics of laser-induced melting of thin gold film: How slow can it get? Sci. Adv. 8, eabo2621, 2022.
Full Text: PDF, doi: 10.1126/sciadv.abo2621, Supplementary Information
A. Ziefuss, S. Barcikowski, and L. V. Zhigilei, Advances in pulsed laser synthesis of nanoparticles in liquids, Sci. China: Phys. Mech. Astron. 65, 274201, 2022.
Full Text: PDF, doi: 10.1007/s11433-022-1909-6
H. Huang, L. V. Zhigilei, Computational study of laser fragmentation in liquid: Phase explosion, inverse Leidenfrost effect at the nanoscale, and evaporation in a nanobubble, Sci. China: Phys. Mech. Astron. 65, 274206, 2022.
Full Text: PDF, doi: 10.1007/s11433-021-1881-8
C. Chen and L. V. Zhigilei, Ultrashort pulse laser ablation in liquids: probing the first nanoseconds of underwater phase explosion, Light Sci. Appl. 11, 111, 2022.
Full Text: PDF, doi: 10.1038/s41377-022-00800-0

Publications (2021)

M. V. Shugaev and L. V. Zhigilei, Thermoelastic modeling of laser-induced generation of strong surface acoustic waves, J. Appl. Phys. 130, 185108, 2021.
Full Text: PDF, doi: 10.1063/5.0071170
M. V. Shugaev and L. V. Zhigilei, Mechanisms of acoustic desorption of atomic clusters and exfoliation of graphene multilayers, J. Phys. Chem. C 125, 23313-23326, 2021.
Full Text: PDF, doi: 10.1021/acs.jpcc.1c07311
M. He, K. Joshi, and L. V. Zhigilei, Computational study of the effect of core-skin structure on the mechanical properties of carbon nanofibers, J. Mater. Sci. 56, 14598-14610, 2021.
Full Text: PDF, doi: 10.1007/s10853-021-06221-5, Supplementary Information
E. T. Karim, M. He, A. Salhoumi, L. V. Zhigilei, and P. K. Galenko, Kinetics of solid-liquid interface motion in molecular dynamics and phase-field models: crystallization of chromium and silicon, Phil. Trans. R. Soc. A 379, 20200320, 2021.
Full Text: PDF, doi: 10.1098/rsta.2020.0320, Supplementary Material
H. Huang and L. V. Zhigilei, Atomistic view of laser fragmentation of gold nanoparticles in a liquid environment, J. Phys. Chem. C 125, 13413-13432, 2021.
Full Text: PDF, doi: 10.1021/acs.jpcc.1c03146, Supporting Information, figures from this paper are featured on the cover of the journal issue: jpg image
C.-Y. Shih, C. Chen, C. Rehbock, A. Tymoczko, U. Wiedwald, M. Kamp, U. Schuermann, L. Kienle, S. Barcikowski, and L. V. Zhigilei, Limited elemental mixing in nanoparticles generated by ultrashort pulse laser ablation of AgCu bilayer thin films in a liquid environment: Atomistic modeling and experiments, J. Phys. Chem. C 125, 2132-2155, 2021.
Full Text: PDF, doi: 10.1021/acs.jpcc.0c09970, Supporting Information
M. He, E. T. Karim, M. V. Shugaev, and L. V. Zhigilei, Atomistic simulation of the generation of vacancies in rapid crystallization of metals, Acta Mater. 203, 116465, 2021.
Full Text: PDF, doi: 10.1016/j.actamat.2020.11.007, Supplementry Material
M. V. Shugaev, M. He, Y. Levy, A. Mazzi, A. Miotello, N. M. Bulgakova, and L. V. Zhigilei, Laser-induced thermal processes: Heat transfer, generation of stresses, melting and solidification, vaporization and phase explosion, in: Handbook of Laser Micro- and Nano-Engineering, Edited by K. Sugioka (Springer, Cham, Switzerland, 2021), pp. 83-163.
Full Text: PDF, doi: 10.1007/978-3-030-63647-0_11
M. C. Gupta, L. V. Zhigilei, M. He, and Z. Sun, Generation and annealing of crystalline disorder in laser processing of silicon, in: Handbook of Laser Micro- and Nano-Engineering, Edited by K. Sugioka (Springer, Cham, Switzerland, 2021), pp. 797-827.
Full Text: PDF, doi: 10.1007/978-3-030-63647-0_15

Publications (2020)

M. V. Shugaev, C. Wu, V. Yu. Zaitsev, and L. V. Zhigilei, Molecular dynamics modeling of nonlinear propagation of surface acoustic waves, J. Appl. Phys. 128, 045117, 2020.
Full Text: PDF, doi: 10.1063/5.0013302, Supplementry Material, AIP Scilight highlighting this article (pdf)
C.-Y. Shih, M. V. Shugaev, C. Wu, and L. V. Zhigilei, The effect of pulse duration on nanoparticle generation in pulsed laser ablation in liquids: Insights from large-scale atomistic simulations, Phys. Chem. Chem. Phys. 22, 7077-7099, 2020.
Full Text: PDF, doi:10.1039/D0CP00608D, Supplementary Information
C.-Y. Shih, I. Gnilitskyi, M. V. Shugaev, E. Skoulas, E. Stratakis, and L. V. Zhigilei, Effect of liquid environment on single-pulse generation of laser induced periodic surface structures and nanoparticles, Nanoscale 12, 7674-7687, 2020.
Full Text: PDF, doi:10.1039/D0NR00269K, Supplementary Information
A. N. Volkov and L. V. Zhigilei, Thermal conductivity of two-dimensional disordered fibrous materials defined by interfiber thermal contact conductance and intrinsic conductivity of fibers, J. Appl. Phys. 127, 065102, 2020.
Full Text: PDF, doi:10.1063/1.5136238, Supplementry Material
Z. Gao, J. Zhu, S. Rajabpour, K. Joshi, M. Kowalik, B. Croom, Y. Schwab, L. Zhang, C. Bumgardner, K. R. Brown, D. Burden, J. W. Klett, A. van Duin, L. V. Zhigilei, and X. Li, Graphene reinforced carbon fibers, Sci. Adv. 6, eaaz4191, 2020.
Full Text: PDF, doi:10.1126/sciadv.aaz4191, Supplementry Material

Publications (2019)

J. Zhu, Z. Gao, M. Kowalik, K. Joshi, C. M. Ashraf, M. I. Arefev, Y. Schwab, C. Bumgardner, K. Brown, D. E. Burden, L. Zhang, J. W. Klett, L. V. Zhigilei, A. C. T. van Duin, X. Li, Unveiling carbon ring structure formation mechanisms in polyacrylonitrile-derived carbon fibers, ACS Appl. Mater. Interfaces 11, 42288-42297, 2019.
Full Text: PDF, doi:10.1021/acsami.9b15833
K. Joshi, M. I. Arefev, and L. V. Zhigilei, Generation and characterization of carbon fiber microstructure in atomistic simulations, Carbon 152, 396-408, 2019.
Full Text: PDF, doi:10.1016/j.carbon.2019.06.014, codes and atomic configurations are available at this link
L. V. Zhigilei and H. Helvajian, Acoustic processes in materials, MRS Bull. 44, 345-349, 2019.
Full Text: PDF, doi:10.1557/mrs.2019.103, see also a Special Issue of MRS Bulletin and MRS OnDemand Webinar on Acoustic Processes in Materials
M. V. Shugaev and L. V. Zhigilei, Thermodynamic analysis and atomistic modeling of subsurface cavitation in photomechanical spallation, Comput. Mater. Sci. 166, 311-317, 2019.
Full Text: PDF, doi:10.1016/j.commatsci.2019.05.017
A. Naghilou, M. He, J. S. Schubert, L. V. Zhigilei, and W. Kautek, Femtosecond laser generation of microbumps and nanojets on single and bilayer Cu/Ag thin films, Phys. Chem. Chem. Phys. 21, 11846-11860, 2019.
Full Text: PDF, doi:10.1039/c9cp02174d, Supplementary Information
C. Constantinescu, A. Mateia, M. Tabetah, M. Dinescu, L. V. Zhigilei, and J. Schou, Compression of dry lysozyme targets: The target preparation pressure as a new parameter in protein thin film production by pulsed laser deposition, Appl. Surf. Sci. 481, 120-124, 2019.
Full Text: PDF, doi:10.1016/j.apsusc.2019.03.089
M. He, C. Wu, M. V. Shugaev, G. D. Samolyuk, and L. V. Zhigilei, Computational study of short-pulse laser-induced generation of crystal defects in Ni-based single-phase binary solid-solution alloys, J. Phys. Chem. C 123, 2202-2215, 2019.
Full Text: PDF, doi:10.1021/acs.jpcc.8b09922, Supplementary Data
B. K. Wittmaack, A. N. Volkov, and L. V. Zhigilei, Phase transformation as the mechanism of mechanical deformation of vertically aligned carbon nanotube arrays: Insights from mesoscopic modeling, Carbon 143, 587-597, 2019.
Full Text: PDF, doi:10.1016/j.carbon.2018.11.066, Supplementary Data

Publications (2018)

M. V. Shugaev, M. He, S. A. Lizunov, Y. Levy, T. J.-Y. Derrien, V. P. Zhukov, N. M. Bulgakova, and L. V. Zhigilei, Insights into laser-materials interaction through modeling on atomic and macroscopic scales, in Advances in the Application of Lasers in Materials Science, Springer Series in Materials Science, Vol. 274, Edited by P. M. Ossi (Springer International Publishing Switzerland, 2018), pp. 107-148.
Full Text: PDF, doi:10.1007/978-3-319-96845-2_5
K. W. Kolasinski, M. C. Gupta, and L. V. Zhigilei, Plume and nanoparticle formation during laser ablation, Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry (Elsevier, 2018), pp. 594-603.
Full Text: PDF, doi:10.1016/B978-0-12-409547-2.14045-4
N. I. Polushkin, V. Oliveira, R. Vilar, M. He, M. V. Shugaev, and L. V. Zhigilei, Phase-change magnetic memory: Rewritable ferromagnetism by laser quenching of chemical disorder in Fe₆₀Al₄₀ alloy, Phys. Rev. Applied 10, 024023, 2018.
Full Text: PDF, doi:10.1103/PhysRevApplied.10.024023
J. Ehrler, M. He, M. V. Shugaev, N. I. Polushkin, S. Wintz, V. Liersch, S. Cornelius, R. Hübner, K. Potzger, J. Lindner, J. Fassbender, A. A. Ünal, S. Valencia, F. Kronast, L. V. Zhigilei, and R. Bali, Laser-rewriteable ferromagnetism at thin-film surfaces, ACS Appl. Mater. Interfaces 10, 15232-15239, 2018.
Full Text: PDF, doi:10.1021/acsami.8b01190, Supplementary Information
B. K. Wittmaack, A. N. Volkov, and L. V. Zhigilei, Mesoscopic modeling of the uniaxial compression and recovery of vertically aligned carbon nanotube forests, Compos. Sci. Technol. 166, 66-85, 2018.
Full Text: PDF, doi:j.compscitech.2018.03.014
C.-Y. Shih, R. Streubel, J. Heberle, A. Letzel, M. V. Shugaev, C. Wu, M. Schmidt, B. Gökce, S. Barcikowski, and L. V. Zhigilei, Two mechanisms of nanoparticle generation in picosecond laser ablation in liquids: the origin of the bimodal size distribution, Nanoscale 10, 6900-6910, 2018.
Full Text: PDF, doi:10.1039/C7NR08614H, Supplementary Information, figure from this paper is featured on the back cover of the journal issue: pdf of the back cover
A. Abou-Saleh, E. T. Karim, C. Maurice, S. Reynaud, F. Pigeon, F. Garrelie, L. V. Zhigilei, and J. P. Colombier, Spallation-induced roughness promoting high spatial frequency nanostructure formation on Cr, Appl. Phys. A 124, 308, 2018.
Full Text: PDF, doi:10.1007/s00339-018-1716-0
B. K. Wittmaack, A. H. Banna, A. N. Volkov, and L. V. Zhigilei, Mesoscopic modeling of structural self-organization of carbon nanotubes into vertically aligned networks of nanotube bundles, Carbon 130, 69-86, 2018.
Full Text: PDF, doi:10.1016/j.carbon.2017.12.078, data files discussed in this paper can be found here
H. Wu, C. Wu, N. Zhang, X. Zhu, X. Ma, L.V. Zhigilei, Experimental and computational study of the effect of 1 atm background gas on nanoparticle generation in femtosecond laser ablation of metals, Appl. Surf. Sci. 435, 1114-1119, 2018.
Full Text: PDF, doi:10.1016/j.apsusc.2017.11.190
N. Lasemi, U. Pacher, L. V. Zhigilei, O. Bomatí-Miguel, R. Lahoz, and W. Kautek, Pulsed laser ablation and incubation of nickel, iron and tungsten in liquids and air, Appl. Surf. Sci. 433, 772-779, 2018.
Full Text: PDF, doi:10.1016/j.apsusc.2017.10.082
C.-Y. Shih, C. Wu, H. Wu, M. V. Shugaev, and L. V. Zhigilei, Atomistic simulations of the generation of nanoparticles in short-pulse laser ablation of metals: The effect of background gas and liquid environments, in Pulsed Laser Ablation: Advances and Applications in Nanoparticles and Nanostructuring Thin Films, Edited by I. N. Mihailescu and A. P. Caricato (Pan Stanford, 2018), pp. 421-466.
Full Text: PDF, link to the book on the publisher's site

Publications (2017)

M. V. Shugaev, I. Gnilitskyi, N. M. Bulgakova, and L. V. Zhigilei, Mechanism of single-pulse ablative generation of laser-induced periodic surface structures, Phys. Rev. B 96, 205429, 2017.
Full Text: PDF, doi:10.1103/PhysRevB.96.205429
C.-Y. Shih, M. V. Shugaev, C. Wu, and L. V. Zhigilei, Generation of subsurface voids, incubation effect, and formation of nanoparticles in short pulse laser interactions with bulk metal targets in liquid: Molecular dynamics study, J. Phys. Chem. C 121, 16549-16567, 2017.
Full Text: PDF, doi:10.1021/acs.jpcc.7b02301, figures from this paper are featured on the cover of the journal issue: jpg image
A. L. Kolesnikova, M. A. Rozhkov, I. Hussainova, T. S. Orlova, I. S. Yasnikov, L. V. Zhigilei, and A. E. Romanov, Structure and energy of intercrystallite boundaries in graphene, Rev. Adv. Mater. Sci. 52, 91-98, 2017.
Full Text: PDF, abstract at RAMS page
A. N. Volkov and L. V. Zhigilei, Melt dynamics and melt-through time in continuous wave laser heating of metal films: Contributions of the recoil vapor pressure and Marangoni effects, Int. J. Heat Mass Transf. 112, 300-317, 2017.
Full Text: PDF, doi:10.1016/j.ijheatmasstransfer.2017.04.100
M. V. Shugaev, C.-Y. Shih, E. T. Karim, C. Wu, and L. V. Zhigilei, Generation of nanocrystalline surface layer in short pulse laser processing of metal targets under conditions of spatial confinement by solid or liquid overlayer, Appl. Surf. Sci. 417, 54-63, 2017.
Full Text: PDF, doi:10.1016/j.apsusc.2017.02.030
C.-Y. Shih, C. Wu, M.V. Shugaev, and L.V. Zhigilei, Atomistic modeling of nanoparticle generation in short pulse laser ablation of thin metal films in water, J. Colloid Interface Sci. 489, 3-17, 2017.
Full Text: PDF, doi:10.1016/j.jcis.2016.10.029
M. J. Schaible, R. E. Johnson, L. V. Zhigilei, and S. Piqueux, High energy electron sintering of icy regoliths: Formation of the PacMan thermal anomalies on the icy Saturnian moons, Icarus 285, 211-223, 2017.
Full Text: PDF, doi:10.1016/j.icarus.2016.08.033
L. V. Zhigilei, R. N. Salaway, B. K. Wittmaack, and A. N. Volkov, Computational studies of thermal transport properties of carbon nanotube materials, in Carbon Nanotubes for Interconnects: Process, Design and Applications, Edited by A. Todri-Sanial, J. Dijon and A. Maffucci (Springer, 2017), pp. 129-161
Full Text: PDF, doi:10.1007/978-3-319-29746-0_5

Publications (2016)

M. V. Shugaev, C. Wu, O. Armbruster, A. Naghilou, N. Brouwer, D. S. Ivanov, T. J.-Y. Derrien, N. M. Bulgakova, W. Kautek, B. Rethfeld, and L. V. Zhigilei, Fundamentals of ultrafast laser-material interaction, MRS Bull. 41 (12), 960-968, 2016.
Full Text: PDF, doi:10.1557/mrs.2016.274, a figure from this paper is featured on the cover of the journal issue: jpg image and pdf
J. Zou, C. Wu, W. D. Robertson, L. V. Zhigilei, and R. J. D. Miller, Molecular dynamics investigation of desorption and ion separation following picosecond infrared laser (PIRL) ablation of an ionic aqueous protein solution, J. Chem. Phys. 145, 204202, 2016.
Full Text: doi:10.1063/1.4967164
M. A. Rozhkov, A. L. Kolesnikova, T. S. Orlova, L. V. Zhigilei, and A. E. Romanov, Disclinated rings as structural units in MD simulation of intercrystallite boundaries in graphene, Mater. Phys. Mech. 29, 101-105, 2016.
Full Text: PDF
X. Sedao, M. V. Shugaev, C. Wu, T. Douillard, C. Esnouf, C. Maurice, S. Reynaud, F. Pigeon, F. Garrelie, L. V. Zhigilei, and J.-P. Colombier, Growth twinning and generation of high-frequency surface nanostructures in ultrafast laser-induced transient melting and resolidification, ACS Nano 10, 6995-7007, 2016.
Full Text: PDF, doi:10.1021/acsnano.6b02970
R. N. Salaway and L. V. Zhigilei, Thermal conductance of carbon nanotube contacts: Molecular dynamics simulations and general description of the contact conductance, Phys. Rev. B 94, 014308, 2016.
Full Text: PDF, doi:10.1103/PhysRevB.94.014308
C. Wu and L. V. Zhigilei, Nanocrystalline and polyicosahedral structure of a nanospike generated on metal surface irradiated by a single femtosecond laser pulse, J. Phys. Chem. C 120, 4438-4447, 2016.
Full Text: PDF, doi:10.1021/acs.jpcc.6b00013
E. T. Karim, M. V. Shugaev, C. Wu, Z. Lin, H. Matsumoto, M. Conneran, J. Kleinert, R. F. Hainsey, and L. V. Zhigilei, Experimental characterization and atomistic modeling of interfacial void formation and detachment in short pulse laser-processing of metal surfaces covered by solid transparent overlayers, Appl. Phys. A 122, 407, 2016.
Full Text: PDF, doi:10.1007/s00339-016-9944-7

Publications (2015)

M. V. Shugaev, A. J. Manzo, C. Wu, V. Yu. Zaitsev, H. Helvajian, and L. V. Zhigilei, Strong enhancement of surface diffusion by nonlinear surface acoustic waves, Phys. Rev. B 91, 235450, 2015.
Full Text: PDF, doi:10.1103/PhysRevB.91.235450
C. Wu, M. S. Christensen, J.-M. Savolainen, P. Balling, and L. V. Zhigilei, Generation of sub-surface voids and a nanocrystalline surface layer in femtosecond laser irradiation of a single crystal Ag target, Phys. Rev. B 91, 035413, 2015.
Full Text: PDF, doi:10.1103/PhysRevB.91.035413

Publications (2014)

M. Tabetah, A. Matei, C. Constantinescu, N. P. Mortensen, M. Dinescu, J. Schou, and L. V. Zhigilei, The minimum amount of "matrix" needed for matrix-assisted pulsed laser deposition of biomolecules, J. Phys. Chem. B 118, 13290-13299, 2014.
Full Text: PDF, doi:dx.doi.org/10.1021/jp508284n (ACS Editors' Choice)
C. R. Phipps, L. Zhigilei, P. Polynkin, T. Baumert, T. Sarnet, N. Bulgakova, W. Bohn, and J. Reif, Laser interaction with materials: introduction (Preface for Special Issue on Laser Interaction with Materials), Appl. Optics 53, LIM1-LIM3, 2014.
Full Text: PDF, doi:10.1364/AO.53.00LIM1
E. T. Karim, C. Wu, and L. V. Zhigilei, Molecular dynamics simulations of laser-materials interactions: General and material-specific mechanisms of material removal and generation of crystal defects, in Fundamentals of Laser-Assisted Micro- and Nanotechnologies, Springer Series in Materials Science, Vol. 195, Edited by V. P. Veiko and V. I. Konov (Springer International Publishing Switzerland, 2014), pp. 27-49.
Full Text: PDF, doi:10.1007/978-3-319-05987-7_2
C. M. Rouleau, C.-Y. Shih, C. Wu, L. V. Zhigilei, A. A. Puretzky, and D. B. Geohegan, Nanoparticle generation and transport resulting from femtosecond laser ablation of ultrathin metal films: Time-resolved measurements and molecular dynamics simulations, Appl. Phys. Lett. 104, 193106, 2014.
Full Text: PDF (1.6 MB), doi:10.1063/1.4876601
E. T. Karim, M. Shugaev, C. Wu, Z. Lin, R. F. Hainsey, and L. V. Zhigilei, Atomistic simulation study of short pulse laser interactions with a metal target under conditions of spatial confinement by a transparent overlayer, J. Appl. Phys. 115, 183501, 2014.
Full Text: PDF (7 MB), doi:10.1063/1.4872245, a figure from this paper is featured on the cover of the journal issue: jpg image and pdf
C. Wu, E. T. Karim, A. N. Volkov, and L. V. Zhigilei, Atomic movies of laser-induced structural and phase transformations from molecular dynamics simulations, in Lasers in Materials Science, Springer Series in Materials Science, Vol. 191, Edited by M. Castillejo, P. M. Ossi, and L. V. Zhigilei (Springer International Publishing Switzerland, 2014), pp. 67-100.
Full Text: PDF, doi:10.1007/978-3-319-02898-9_4, book preface and table of contents
C. Wu and L. V. Zhigilei, Microscopic mechanisms of laser spallation and ablation of metal targets from large-scale molecular dynamics simulations, Appl. Phys. A 114, 11-32, 2014.
Full Text: PDF (2.3 MB), doi:10.1007/s00339-013-8086-4
R. N. Salaway and L. V. Zhigilei, Molecular dynamics simulations of thermal conductivity of carbon nanotubes: Resolving the effects of computational parameters, Int. J. Heat Mass Transfer 70, 954-964, 2014.
Full Text: PDF (575 kB), doi:10.1016/j.ijheatmasstransfer.2013.11.065

Publications (2013)

C. Wu, V. Yu. Zaitsev, and L. V. Zhigilei, Mechanism of acoustically induced diffusional structuring of surface adatoms, Appl. Phys. Lett. 103, 221601, 2013.
Full Text: PDF (790 kB), doi:10.1063/1.4832996
A. N. Volkov, R. N. Salaway, and L. V. Zhigilei, Atomistic simulations, mesoscopic modeling, and theoretical analysis of thermal conductivity of bundles composed of carbon nanotubes, J. Appl. Phys. 114, 104301, 2013.
Full Text: PDF (2.6 MB), doi:10.1063/1.4819911, a figure from this paper is featured on the cover of the journal issue: jpg image and pdf
C. Wu, V. Yu. Zaitsev, and L. V. Zhigilei, Acoustic enhancement of surface diffusion, J. Phys. Chem. C 117, 9252-9258, 2013.
Full Text: PDF (2.22 MB), doi:10.1021/jp400884d
C. H. Baker, C. Wu, R. N. Salaway, L. V. Zhigilei, and P. M. Norris, Resolving the vibrational and electronic contributions to thermal conductivity of silicon near the solid-liquid transition: Molecular dynamics study, Int. J. Transp. Phenom. 13, 143-150, 2013.
Full Text: PDF (250 kB)
A. N. Volkov and L. V. Zhigilei, Computational study of the role of gas-phase oxidation in CW laser ablation of an aluminum target into an external supersonic air flow, Appl. Phys. A 110, 537-546, 2013.
Full Text: PDF (2.85 MB), doi:10.1007/s00339-012-7290-y

Publications (2012)

W. M. Jacobs, D. A. Nicholson, H. Zemer, A. N. Volkov, and L. V. Zhigilei, Acoustic energy dissipation and thermalization in carbon nanotubes: Atomistic modeling and mesoscopic description, Phys. Rev. B 86, 165414, 2012.
Full Text: PDF (6.4 MB), doi:10.1103/PhysRevB.86.165414
A. N. Volkov and L. V. Zhigilei, Heat conduction in carbon nanotube materials: Strong effect of intrinsic thermal conductivity of carbon nanotubes, Appl. Phys. Lett. 101, 043113, 2012.
Full Text: PDF (1.32 MB), doi:10.1063/1.4737903
E. T. Karim, Z. Lin, and L. V. Zhigilei, Molecular dynamics study of femtosecond laser interactions with Cr targets, International Symposium on High Power Laser Ablation 2012, AIP Conf. Proc. 1464, 280-293, 2012.
Full Text: PDF (1.7 MB), doi:10.1063/1.4739881
A. N. Volkov, T. Shiga, D. Nicholson, J. Shiomi, and L. V. Zhigilei, Effect of bending buckling of carbon nanotubes on thermal conductivity of carbon nanotube materials, J. Appl. Phys. 111, 053501, 2012.
Full Text: PDF (4.71 MB), doi:10.1063/1.3687943
T. S. English, J. C. Duda, J. L. Smoyer, D. A. Jordan, P. M. Norris, and L. V. Zhigilei, Enhancing and tuning phonon transport at vibrationally mismatched solid-solid interfaces, Phys. Rev. B 85, 035438, 2012.
Full Text: PDF (1.4 MB), doi:10.1103/PhysRevB.85.035438
R. Knochenmuss and L. V. Zhigilei, What determines MALDI ion yields? A molecular dynamics study of ion loss mechanisms, Anal. Bioanal. Chem. 402, 2511-2519, 2012.
Full Text: PDF (413 kB), doi:10.1007/s00216-011-5194-x
L. V. Zhigilei, A. N. Volkov, and A. M. Dongare, Computational study of nanomaterials: From large-scale atomistic simulations to mesoscopic modeling, Encyclopedia of Nanotechnology, B. Bhushan (Ed.), (Springer, Heidelberg, 2012), Part 4, pp. 470-480.
Full Text: PDF (0.9 MB), doi:10.1007/978-90-481-9751-4_403

Publications (2011)

C. H. Baker, C. Wu, R. N. Salaway, L. V. Zhigilei, P. M. Norris, Vibrational contribution to thermal conductivity of silicon near solid-liquid transition, Proceedings of the ASME 2011 International Mechanical Engineering Congress & Exposition, Paper no. IMECE2011-64064, 2011.
Full Text: PDF (150 kB)
J. C. Duda, T. S. English, E. S. Piekos, W. A. Soffa, L. V. Zhigilei, and P. E. Hopkins, Implications of cross-species interactions on the temperature dependence of Kapitza conductance, Phys. Rev.B 84, 193301, 2011.
Full Text: doi:10.1103/PhysRevB.84.193301
L. V. Zhigilei, A. N. Volkov, E. Leveugle, and M. Tabetah, The effect of the target structure and composition on the ejection and transport of polymer molecules and carbon nanotubes in matrix-assisted pulsed laser evaporation, Appl. Phys. A 105, 529-546, 2011.
Full Text: PDF (7.6 MB), doi:10.1007/s00339-011-6595-6
O. Stein, Z. Lin, L. V. Zhigilei, and M. Asscher, Selective ablation of Xe from silicon surfaces: MD simulation and experimental laser patterning, J. Phys. Chem. A (Victoria Buch Memorial Issue) 115, 6250-6259, 2011.
Full Text: PDF (4.5 MB), doi:10.1021/jp111658w
C. Wu, D. A. Thomas, Z. Lin, and L. V. Zhigilei, Runaway lattice-mismatched interface in an atomistic simulation of femtosecond laser irradiation of Ag film - Cu substrate system, Appl. Phys. A 104, 781-792, 2011.
Full Text: PDF (2.9 MB), doi:10.1007/s00339-011-6436-7
A. N. Volkov and L. V. Zhigilei, Massively parallel mesoscopic simulations of gas permeability of thin films composed of carbon nanotubes, in Computational Fluid Dynamics 2010, A. Kuzmin (ed.), (Springer-Verlag, Berlin, Heidelberg, 2011), pp. 823-831.
Full Text: PDF (1 MB), doi:10.1007/978-3-642-17884-9_104

Publications (2010)

T. S. English, J. C. Duda, D. A. Jordan, P. M. Norris, and L. V. Zhigilei, The effect of interstitial layers on thermal boundary conductance between Lennard-Jones crystals, 2010 14th International Heat Transfer Conference, Volume 6, Paper no. IHTC14-22953, pp. 443-448, 2010.
Full Text: PDF (2.7 MB), doi:10.1115/IHTC14-22953
A. Delcorte, H. F. Schaefer III, N. Winograd, and L. Zhigilei, Biography of Barbara J. Garrison, J. Phys. Chem. C 114, 5241-5246, 2010.
Full Text: PDF (2.0 MB)
A. N. Volkov and L. V. Zhigilei, Structural stability of carbon nanotube films: The role of bending buckling, ACS Nano 4, 6187-6195, 2010.
Full Text: PDF (6.0 MB)
A. N. Volkov and L. V. Zhigilei, Scaling laws and mesoscopic modeling of thermal conductivity in carbon nanotube materials, Phys. Rev. Lett. 104, 215902, 2010.
Full Text: PDF (1.5 MB) and Supporting Information (48 kB)
R. Knochenmuss and L. V. Zhigilei, Molecular dynamics simulations of MALDI: Laser fluence and pulse width dependence of plume characteristics and consequences for matrix and analyte ionization, J. Mass Spectrom. 45, 333-346, 2010.
Full Text: PDF (774 kB), cover art for the journal issue: jpg image and pdf with caption
D. S. Ivanov, Z. Lin, B. Rethfeld, G. M. O'Connor, Th. J. Glynn, and L. V. Zhigilei, Nanocrystalline structure of nanobump generated by localized photo-excitation of metal film, J. Appl. Phys. 107, 013519, 2010.
Full Text: PDF (1.26 MB), link to AIP's online abstract
Z. Lin, E. Leveugle, E. M. Bringa, and L. V. Zhigilei, Molecular dynamics simulation of laser melting of nanocrystalline Au, J. Phys. Chem. C 114, 5686-5699, 2010.
Full Text: PDF (8.75 MB)
L. V. Zhigilei, Z. Lin, D. S. Ivanov, E. Leveugle, W. H. Duff, D. Thomas, C. Sevilla, and S. J. Guy, Atomic/molecular-level simulations of laser-materials interactions, Chapter 3 in Laser-Surface Interactions for New Materials Production: Tailoring Structure and Properties, Springer Series in Materials Science, Vol. 130, Edited by A. Miotello and P. M. Ossi (Springer Verlag: New York, 2010), pp. 43-79.
Full Text: PDF (1.16 MB), links to the publisher and preface/table of contents
L. V. Zhigilei, E. Leveugle, D. S. Ivanov, Z. Lin, and A. N. Volkov, Molecular dynamics simulations of short pulse laser ablation: Mechanisms of material ejection and particle generation, Chapter 7 in Nanosized Material Synthesis by Action of High-Power Energy Fluxes on Matter (Siberian Branch of the Russian Academy of Sciences: Novosibirsk, 2010), pp. 147-220, in Russian.
Full Text: PDF (1.94 MB), cover art for the book jpg image, the book can be ordered by following this link
T. E. Itina, L. V. Zhigilei, and B. J. Garrison, Cluster ejection in matrix assisted laser desorption ionization (MALDI): molecular dynamics study, in Nanosized Material Synthesis by Action of High-Power Energy Fluxes on Matter (Siberian Branch of the Russian Academy of Sciences, Novosibirsk, 2010), pp.221-242, in Russian.
T. E. Itina, K. Gouriet, and L. V. Zhigilei, Direct simulation Monte Carlo investigation of cluster formation in laser ablation plume expanding in vacuum and in the presence of background gas, in Nanosized Material Synthesis by Action of High-Power Energy Fluxes on Matter (Siberian Branch of the Russian Academy of Sciences, Novosibirsk, 2010), pp.243-265, in Russian.
A. N. Volkov and L. V. Zhigilei, Mesoscopic interaction potential for carbon nanotubes of arbitrary length and orientation, J. Phys. Chem. C 114, 5513-5531, 2010.
Full Text: PDF (8 MB) and Supporting Information (116 kB)

Publications (2009)

A. M. Dongare, M. Neurock, and L. V. Zhigilei, Angular-dependent embedded atom method potential for atomistic simulations of metal-covalent systems, Phys. Rev. B 80, 184106, 2009.
Full Text: PDF (667 kB)
L. V. Zhigilei, Z. Lin, and D. S. Ivanov, Atomistic modeling of short pulse laser ablation of metals: Connections between melting, spallation, and phase explosion, J. Phys. Chem. C 113, 11892-11906, 2009.
Full Text: PDF (4.4 MB)
D. A. Thomas, Z. Lin, L. V. Zhigilei, E. L. Gurevich, S. Kittel, R. Hergenröder, Atomistic modeling of femtosecond laser-induced melting and atomic mixing in Au film - Cu substrate system, Appl. Surf. Sci. 255, 9605-9612, 2009.
Full Text: PDF (764 kB)
A. M. Dongare, L. V. Zhigilei, A. M. Rajendran, and B. LaMattina, Interatomic potentials for atomic scale modeling of metal-matrix ceramic particle reinforced nanocomposites, Compos. Part B - Eng. 40, 461-467, 2009.
Full Text: PDF (411 kB)
A. N. Volkov, K. R. Simov, and L. V. Zhigilei, Mesoscopic simulation of self-assembly of carbon nanotubes into a network of bundles, Proceedings of the 47^th AIAA Aerospace Sciences Meeting, AIAA paper 2009-1544, 2009.
Full Text: PDF (1.24 MB)
K. Gouriet, L. V. Zhigilei, and T. E. Itina, Molecular dynamics study of nanoparticle evolution in a background gas under laser ablation conditions, Appl. Surf. Sci. 255, 5116-5119, 2009.
Full Text: PDF (366 kB)

Publications (2008)

A. N. Volkov, K. R. Simov, and L. V. Zhigilei, Mesoscopic model for simulation of CNT-based materials, Proceedings of the ASME International Mechanical Engineering Congress and Exposition (IMECE2008), ASME paper IMECE2008-68021, 2008.
Full Text: PDF (543 kB)
Z. Lin, R. A. Johnson, and L. V. Zhigilei, Computational study of the generation of crystal defects in a bcc metal target irradiated by short laser pulses, Phys. Rev. B 77, 214108, 2008.
Full Text: PDF (1.54 MB); Erratum: PDF
D. S. Ivanov, B. Rethfeld, G. M. O'Connor, Th. J. Glynn, A. N. Volkov, and L. V. Zhigilei, The mechanism of nanobump formation in femtosecond pulse laser nanostructuring of thin metal films, Appl. Phys. A 92, 791-796, 2008.
Full Text: PDF (977 kB)
A. Sellinger, E. Leveugle, J. M. Fitz-Gerald, L. V. Zhigilei, Generation of surface features in films deposited by matrix-assisted pulsed laser evaporation: the effects of the stress confinement and droplet landing velocity, Appl. Phys. A 92, 821-829, 2008.
Full Text: PDF (1.72 MB)
L. V. Zhigilei, E. Leveugle, A. Sellinger, and J. M. Fitz-Gerald, Molecular dynamics simulation study of the ejection of polymer molecules and generation of molecular balloons in matrix-assisted pulsed laser evaporation, Proc. SPIE 7005, 700517, 2008.
Full Text: PDF (1.84 MB)
K. Gouriet, T. E. Itina, S. Noël, J. Hermann, M. Sentis, and L. V. Zhigilei Formation of nanoparticles by short and ultra-short laser pulses, Proc. SPIE 7005, 70050T, 2008.
Full Text: PDF (317 kB)
Z. Lin, L. V. Zhigilei, and V. Celli, Electron-phonon coupling and electron heat capacity of metals under conditions of strong electron-phonon nonequilibrium, Phys. Rev. B 77, 075133, 2008.
Full Text: PDF (508 kB)
H. Liu, Z. Lin, L. V. Zhigilei, and P. Reinke, Fractal structures in fullerene layers: Simulation of the growth process, J. Phys. Chem. C 112, 4687-4695, 2008.
Full Text: PDF (770 kB)

Publications (2007)

E. Leveugle and L. V. Zhigilei, Molecular dynamics simulation study of the ejection and transport of polymer molecules in matrix-assisted pulsed laser evaporation, J. Appl. Phys. 102, 074914, 2007.
Full Text: PDF (4.27 MB)
L. V. Zhigilei and A. Peled, Fifth International Conference on Photo-Excited Processes and Applications (5-ICPEPA), Preface, Appl. Surf. Sci. 253, 6275, 2007.
Full Text: PDF (148 kB)
E. Leveugle, A. Sellinger, J. M. Fitz-Gerald, and L. V. Zhigilei, Making molecular balloons in laser-induced explosive boiling of polymer solutions, Phys. Rev. Lett. 98, 216101, 2007.
Full Text: PDF (650 kB)
D. S. Ivanov and L. V. Zhigilei, Kinetic limit of heterogeneous melting in metals, Phys. Rev. Lett. 98, 195701, 2007.
Full Text: PDF (1.7 MB)
Z. Lin and L. V. Zhigilei, The role of thermal excitation of d band electrons in ultrafast laser interaction with noble (Cu) and transition (Pt) metals, Proceedings of the International Conference on Integration and Commercialization of Micro and Nano-systems (MicroNanoChina07), ASME paper MNC2007-21076, 2007.
Full Text: PDF (135 kB)
Z. Lin and L. V. Zhigilei, Temperature dependences of the electron-phonon coupling, electron heat capacity and thermal conductivity in Ni under femtosecond laser irradiation, Appl. Surf. Sci. 253, 6295-6300, 2007.
Full Text: PDF (297 kB)
E. Leveugle, L. V. Zhigilei, A. Sellinger, and J. M. Fitz-Gerald, Computational and experimental study of the cluster size distribution in MAPLE, Appl. Surf. Sci. 253, 6456-6460, 2007.
Full Text: PDF (955 kB)
A. N. Volkov, C. Sevilla, and L. V. Zhigilei, Numerical modeling of short pulse laser interaction with Au nanoparticle surrounded by water, Appl. Surf. Sci. 253, 6394-6399, 2007.
Full Text: PDF (443 kB)
Z. Lin and L. V. Zhigilei, Time-resolved diffraction profiles and structural dynamics of Ni film under short laser pulse irradiation, J. Phys.: Conference Series 59, 11-15, 2007.
Full Text: PDF (581 kB)
E. Leveugle, L. V. Zhigilei, A. Sellinger, and J. M. Fitz-Gerald, Ejection of matrix-polymer clusters in matrix-assisted laser evaporation: Coarse-grained molecular dynamics simulations, J. Phys.: Conference Series 59, 126-131, 2007.
Full Text: PDF (183 kB)
A. N. Volkov and L. V. Zhigilei, Hydrodynamic multi-phase model for simulation of laser-induced non-equilibrium phase transformations, J. Phys.: Conference Series 59, 640-645, 2007.
Full Text: PDF (136 kB)
W. H. Duff and L. V. Zhigilei, Computational study of cooling rates and recrystallization kinetics in short pulse laser quenching of metal targets, J. Phys.: Conference Series 59, 413-417, 2007.
Full Text: PDF (201 kB)
R. J. Stevens, L. V. Zhigilei, and P. M. Norris, Effects of temperature and disorder on thermal boundary conductance at solid-solid interfaces: Nonequilibrium molecular dynamics simulations, International Journal of Heat and Mass Transfer 50, 3977-3989, 2007.
Full Text: PDF (798 kB)
T. E. Itina and L. V. Zhigilei, Generation of nanoparticles by laser ablation: Combined MD-DSMC computational study, J. Phys.: Conference Series 59, 44-49, 2007.
Full Text: PDF (205 kB)
A. T. Sellinger, E. Leveugle, K. Gogick, G. Peman, L. V. Zhigilei, and J. M. Fitz-Gerald, Ejection of matrix-polymer clusters in matrix-assisted laser evaporation: Experimental observations, J. Phys.: Conference Series 59, 314-317, 2007.
Full Text: PDF (2.52 MB)
T. E. Itina, K. Gouriet, L. V. Zhigilei, S. Noël, J. Hermann, and M. Sentis, Mechanisms of small clusters production by short and ultra-short pulse laser ablation, Appl. Surf. Sci. 253, 7656-7661, 2007.
Full Text: PDF (584 kB)

Publications (2006)

Z. Lin and L. V. Zhigilei, Thermal excitation of d band electrons in Au: implications for laser-induced phase transformations, High-Power Laser Ablation VI, edited by C. R. Phipps, Proc. SPIE 6261, 62610U, 2006.
Full Text: PDF (683 kB)
L. V. Zhigilei, Z. Lin, and D. S. Ivanov, Molecular dynamics study of short pulse laser melting, recrystallization, spallation, and ablation of metal targets, Proceedings of the 2006 ASME International Mechanical Engineering Congress and Exposition (IMECE2006), ASME paper IMECE2006-16305, 2006.
Full Text: PDF (499 kB)
L. Koči, E. M. Bringa, D. S. Ivanov, J. Hawreliak, J. McNaney, A. Higginbotham, L. V. Zhigilei, A. B. Belonoshko, B. A. Remington, and R. Ahuja, Simulation of shock-induced melting of Ni using molecular dynamics coupled to a two-temperature model, Phys. Rev. B 74, 012101, 2006.
Full Text: PDF (579 kB)
K. Gouriet, T. E. Itina, L. V. Zhigilei, et M. Sentis, Évolution temporelle des agrégats créés par impulsions laser courtes: évaporation et condensation, J. Phys. IV France 138, 83-88, 2006.
Full Text: PDF (177 kB)
Z. Lin and L. V. Zhigilei, Time-resolved diffraction profiles and atomic dynamics in short-pulse laser-induced structural transformations: Molecular dynamics study, Phys. Rev. B 73, 184113, 2006.
Full Text: PDF (2.3 MB)
A. M. Dongare and L. V. Zhigilei, A new Embedded Atom Method potential for atomic-scale modeling of metal-silicon systems, Proceedings of the International Conference on Computational and Experimental Engineering and Sciences (ICCES'05), 2522-2527, 2005.
Full Text: PDF (588 kB)
A. T. Sellinger, E. M. Leveugle, K. Gogick, L. V. Zhigilei, and J. M. Fitz-Gerald, Laser processing of polymer nanocomposite thin films, J. Vac. Sci. Technol. A 24, 1618-1622, 2006.
Full Text: PDF (744 kB)

Publications (2005)

R. Knochenmuss and L. V. Zhigilei, Molecular dynamics model of ultraviolet matrix-assisted laser desorption/ionization including ionization processes, J. Phys. Chem. B 109, 22947-22957, 2005.
Abstract, Full Text: PDF (1 MB), cover art for the journal issue
L. V. Zhigilei and D. S. Ivanov, Channels of energy redistribution in short-pulse laser interactions with metal targets, Appl. Surf. Sci. 248, 433-439, 2005.
Abstract, Full Text: PDF (232 kB)
L. V. Zhigilei, C. Wei, and D. Srivastava, Mesoscopic model for dynamic simulations of carbon nanotubes, Phys. Rev. B 71, 165417, 2005.
Abstract, Full Text: PDF (951 kB)
O. J. Tucker, D. S. Ivanov, L. V. Zhigilei, R. E. Johnson, and E. M. Bringa, Molecular dynamics simulation of sputtering from a cylindrical track: EAM vs. pair potentials, Nucl. Instr. Meth. B 228, 163-169, 2005.
Abstract, Full Text: PDF (231 kB)
A. M. Dongare, D. D. Hass, and L. V. Zhigilei, Computational investigation of the effect of cluster impact energy on the microstructure of films grown by cluster deposition, in Clusters and Nano-Assemblies: Physical and Biological Systems, edited by P. Jena, S. N. Khanna, and B. K. Rao (World Scientific, Singapore, 2005), pp. 329-339.
Abstract, Full Text: PDF (619 kB)

Publications (2004)

R. J. Stevens, P. M. Norris, and L. V. Zhigilei, Molecular-dynamics study of thermal boundary resistance: evidence of strong inelastic scattering transport channels, Proceedings of the 2004 ASME International Mechanical Engineering Congress (IMECE'04), paper IMECE2004-60334, 2004.
Abstract, Full Text: PDF (608 kB)
L. V. Zhigilei, D. S. Ivanov, E. Leveugle, B. Sadigh, and E. M. Bringa, Computer modeling of laser melting and spallation of metal targets, High-Power Laser Ablation V, edited by C. R. Phipps, Proc. SPIE 5448, 505-519, 2004.
Abstract, Full Text: PDF (656 kB)
D. S. Ivanov and L. V. Zhigilei, Combined atomistic - continuum model for simulation of laser interaction with metals: application to calculation of melting thresholds in Ni targets of varying thickness, Appl. Phys. A 79, 977-981, 2004.
Abstract, Full Text: PDF (220 kB)
E. Leveugle and L. V. Zhigilei, Microscopic mechanisms of short pulse laser spallation of molecular solids, Appl. Phys. A 79, 753-756, 2004.
Abstract, Full Text: PDF (320 kB)
D. S. Ivanov, L. V. Zhigilei, E. M. Bringa, M. De Koning, B. A. Remington, M. J. Caturla, and S. M. Pollaine, Molecular dynamics simulations of shocks including electronic heat conduction and electron-phonon coupling, Shock Compression of Condensed Matter - 2003, AIP Conference Proceedings 706, 225-228, 2004.
Abstract, Full Text: PDF (411 kB)
E. Leveugle, D. S. Ivanov, and L. V. Zhigilei, Photomechanical spallation of molecular and metal targets: molecular dynamics study, Appl. Phys. A 79, 1643-1655, 2004.
Abstract, Full Text: PDF (1.2 MB)
B. A. Remington, G. Bazan, J. Belak, E. Bringa, M. Caturla, J. D. Colvin, M. J. Edwards, S. G. Glendinning, D. S. Ivanov, B. Kad, D. H. Kalantar, M. Kumar, B. F. Lasinski, K. T. Lorenz, J. M. McNaney, D. D. Meyerhofer, M. A. Meyers, S. M. Pollaine, D. Rowley, M. Schneider, J. S. Stölken, J. S. Wark, S. V. Weber, W. G. Wolfer, B. Yaakobi, and L. V. Zhigilei, Materials science under extreme conditions of pressure and strain rate, Metall. Mater. Trans. A 35, 2587-2607, 2004.
Abstract, Full Text: PDF (1^st page only, 57 kB)

Publications (2003)

D. S. Ivanov and L. V. Zhigilei, Combined atomistic-continuum modeling of short-pulse laser melting and disintegration of metal films, Phys. Rev. B, 68, 064114, 2003.
Abstract, Full Text: PDF (4.8 MB)
D. S. Ivanov and L. V. Zhigilei, Effect of pressure relaxation on the mechanisms of short-pulse laser melting, Phys. Rev. Lett. 91, 105701, 2003.
Abstract, Full Text: PDF (824 kB)
B. J. Garrison,T. E. Itina, and L. V. Zhigilei, Limit of overheating and the threshold behavior in laser ablation, Phys. Rev. E, 68, 041501, 2003.
Abstract, Full Text: PDF (1 MB)
M. I. Zeifman, B. J. Garrison, and L. V. Zhigilei, Evolution of a plume in laser ablation: dependence on the spot size, Proceedings of the 36th AIAA Thermophysics Conference, AIAA Paper 2003-3493, 2003.
Abstract, Full Text: PDF (106 kB)
A. M. Dongare and L. V. Zhigilei, Atomistic simulation study of misfit strain relaxation mechanisms in heteroepitaxial islands, Mat. Res. Soc. Symp. Proc. 749, W10.12.1-W10.12.6, 2003.
Abstract, Full Text: PDF (90 kB)
L. V. Zhigilei, E. Leveugle, B. J. Garrison, Y. G. Yingling, and M. I. Zeifman, Computer simulations of laser ablation of molecular substrates, Chem. Rev. 103, 321-348, 2003.
Abstract, Full Text: PDF (1.63 MB)
L. V. Zhigilei, Dynamics of the plume formation and parameters of the ejected clusters in short-pulse laser ablation, Appl. Phys. A 76, 339-350, 2003.
Abstract, Full Text: PDF (1.13 MB)
L. V. Zhigilei, Y. G. Yingling, T. E. Itina, T. A. Schoolcraft, and B. J. Garrison, Molecular Dynamics Simulations of Matrix Assisted Laser Desorption - Connections to Experiment, Int. J. Mass Spectrom. 226, 85-106, 2003.
Abstract, Full Text: PDF (710 kB)
Y. Dou, N. Winograd, B. J. Garrison, and L. V. Zhigilei, Substrate-assisted laser-initiated ejection of proteins embedded in water films, J. Phys. Chem. B 107, 2362-2365, 2003.
Abstract, Full Text: PDF (407 kB)
B. J. Garrison, A. Delcorte, L. V. Zhigilei, T. E. Itina, K. D. Krantzman, Y. G. Yingling, C. M. McQuaw, E. J. Smiley, and N. Winograd, Big Molecule Ejection - SIMS vs. MALDI, Appl. Surf. Sci. 203-204, 69-71, 2003.
Abstract, Full Text: PDF (138 kB)
M. I. Zeifman, B. J. Garrison, and L. V. Zhigilei, A hybrid MD-DSMC model of picosecond laser ablation and desorption, Rarefied Gas Dynamics: 23rd International Symposium, AIP Conference Proceedings 663, 939-946, 2003.
Abstract, Full Text: PDF (365 kB)

Publications (2002)

L. V. Zhigilei and A. M. Dongare, Multiscale modeling of laser ablation: applications to nanotechnology, CMES: Computer Modeling in Engineering & Sciences 3, 539-555, 2002.
Abstract, Full Text: PDF (524 kB)
M. I. Zeifman, B. J. Garrison, and L. V. Zhigilei, Combined molecular dynamics - direct simulation Monte Carlo computational study of laser ablation plume evolution, J. Appl. Phys. 92, 2181-2193, 2002.
Abstract, Full Text: PDF (279 kB)
M. I. Zeifman, B. J. Garrison, and L. V. Zhigilei, Direct simulation Monte Carlo calculation: strategies for using complex initial conditions, Mat. Res. Soc. Symp. Proc. 731, W3.8.1-W3.8.6, 2002.
Abstract, Full Text: PDF (131 kB)
M. I. Zeifman, B. J. Garrison, and L. V. Zhigilei, Multiscale simulation of laser ablation of organic solids: evolution of the plume, Appl. Surf. Sci. 197-198, 27-34, 2002.
Abstract, Full Text: PDF (961 kB)
C. Schäfer, H. M. Urbassek, L. V. Zhigilei, and B. J. Garrison, Pressure-transmitting boundary conditions for molecular-dynamics simulations, Comp. Mater. Sci. 24, 421-429, 2002.
Abstract, Full Text: PDF (187 kB)
C. Schäfer, H. M. Urbassek, and L. V. Zhigilei, Metal ablation by picosecond laser pulses: A hybrid simulation, Phys. Rev. B 66, 115404, 2002.
Abstract, Full Text: PDF (234 kB)
T. E. Itina, L. V. Zhigilei, and B. J. Garrison, Microscopic Mechanisms of Matrix Assisted Laser Desorption of Analyte Molecules: Insights from Molecular Dynamics Simulation, J. Phys. Chem. B 106, 303-310, 2002.
Abstract, Full Text: PDF (157 kB)

Publications (2001)

L. V. Zhigilei, B. J. Garrison, M. Goto, J. Hobley, M. Kishimoto, H. Fukumura, and A. G. Zhidkov, The Role of Inertial and Spatial Confinement in Laser Interaction with Organic Materials, -in: Proceedings of the 5th World Multi-Conference on Systemics, Cybernetics and Informatics (SCI 2001 / ISAS 2001), (Institute of Informatics and Systemics: Orlando, Florida), 215-220, 2001.
Abstract, Full Text: PDF (719 kB)
L. V. Zhigilei, Computational Model for Multiscale Simulation of Laser Ablation, -in: Advances in Materials Theory and Modeling-Bridging Over Multiple-Length and Time Scales, edited by V. V. Bulatov, F. Cleri, L. Colombo, L. J. Lewis, N. Mousseau, (Mat. Res. Soc. Symp. Proc. 677), invited paper, AA2.1.1-AA2.1.11, 2001.
Abstract, Full Text: PDF (486 kB)
M. Goto, L. V. Zhigilei, J. Hobley, M. Kishimoto, B. J. Garrison, and H. Fukumura, Laser Expulsion of an Organic Molecular Nano-jet from a Confined Domain onto a Polymer Surface, J. Appl. Phys. 90, 4755-4760, 2001.
Abstract, Full Text: PDF (319 kB)
Y. G. Yingling, L. V. Zhigilei, B. J. Garrison, The Role of Photochemical Fragmentation in Laser Ablation: A Molecular Dynamics Study, J. Photochem. Photobiol. A 145, 173-181, 2001.
Abstract, Full Text: PDF (134 kB)
Y. G. Yingling, L. V. Zhigilei, B. J. Garrison, A. Koubenakis, J. Labrakis, S. Georgiou, Laser Ablation of Bi-component Systems: A Probe of Molecular Ejection Mechanisms, Appl. Phys. Lett. 78, 1631-1633, 2001.
Abstract, Full Text: PDF (163 kB)
Y. G. Yingling, L. V. Zhigilei, B. J. Garrison, Photochemical Fragmentation Processes in Laser Ablation of Organic Solids, Nucl. Instr. Meth. B 180, 171-175, 2001.
Abstract, Full Text: PDF (97 kB)
T. E. Itina, L. V. Zhigilei, B. J. Garrison, Matrix Assisted Pulsed Laser Evaporation of Polymeric Materials: Molecular Dynamic Simulation, Nucl. Instr. Meth. B 180, 238-244, 2001.
Abstract, Full Text: PDF (303 kB)
Y. Dou, L. V. Zhigilei, Z. Postawa, N. Winograd, and B. J. Garrison, Thickness effects of water overlayer on its explosive evaporation at heated metal surfaces, Nucl. Instr. Meth. B 180, 105-111, 2001.
Abstract, Full Text: PDF (374 kB)
Y. Dou, L. V. Zhigilei, N. Winograd, and B. J. Garrison, Explosive Boiling of Water Films Adjacent to Heated Surfaces: A Microscopic Description, J. Phys. Chem. A 105, 2748-2755, 2001.
Abstract, Full Text: PDF (1.18 MB)
G. J. Williams, L. V. Zhigilei, and B. J. Garrison, Laser Ablation in a Model Two-phase System, Nucl. Instr. Meth. B 180, 209-215, 2001.
Abstract, Full Text: PDF (1.1 MB)
A. G. Zhidkov, L. V. Zhigilei, A. Sasaki, and T. Tajima, Short-laser-pulse Driven Emission of Energetic Ions into a Solid Target from a Surface Layer Spalled by a Laser Prepulse, Appl. Phys. A 73, 741-747, 2001.
Abstract, Full Text: PDF (794 kB)
T. A. Schoolcraft, G. S. Constable, B. Jackson, L. V. Zhigilei, and B. J. Garrison, Molecular Dynamics Simulations of Laser Disintegration of Amorphous Aerosol Particles with Spatially Nonuniform Absorption, Nucl. Instr. Meth. B 180, 245-250, 2001.
Abstract, Full Text: PDF (365 kB)

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