Atomsk

Le couteau suisse pour les simulations atomiques

Citations

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    2024
  1. "Defects in magnesium and its alloys by atomistic simulation: Assessment of semi-empirical potentials"
    H. Wang et al., Comput. Mater. Science 240 (2024) 113025 | doi: 10.1016/j.commatsci.2024.113025
  2. "Surfkit: An atomic toolkit for surface modelling with molecular adsorption"
    Z.R. Liu and R.F. Zhang, Comput. Mater. Science 240 (2024) 112996 | doi: 10.1016/j.commatsci.2024.112996
  3. "Study of the mechanism of the strength-ductility synergy of &aplha;-Ti at cryogenic temperature via experiment and atomistic simulation"
    H. Yang et al., Int. J. Plast. (accepted) 103971 | doi: 10.1016/j.ijplas.2024.103971
  4. "Abnormal grain growth of (110)-oriented perpendicular nanotwinned copper into ultra-large grains at low temperatures"
    P. Chen et al., J. Mater. Science Tech. (accepted) | doi: 10.1016/j.jmst.2024.03.036
  5. "Twin and phase boundaries synergistic effect on multiscale dynamic fracture in Ni-based deformed superalloy"
    L. Wang et al., Theor. Appl. Fracture Mech. 131 (2024) 104446 | doi: 10.1016/j.tafmec.2024.104446
  6. "Loading path and strain rate effects on the deformation behavior of [0001] textured nanocrystalline magnesium: An atomic-scale investigation"
    H. Zhao et al., J. Magn. Alloys (accepted) | doi: 10.1016/j.jma.2024.03.018
  7. "Molecular dynamics simulation of microstructural evolution and mechanical behavior of titanium alloy subjected to laser shock peening"
    J. Li et al., Optics Laser Tech. 175 (2024) 110748 | doi: 10.1016/j.optlastec.2024.110748
  8. "Designing the mechanical behavior of (HfTiZr)1−x(NbTa)xC high-entropy carbide ceramics"
    C. Li et al., Phys. Rev. B 109 (2024) 134110 | doi: 10.1103/PhysRevB.109.134110
  9. "Role of geometry and coherent twin boundaries in mechanical response of Cu ⟨110⟩ nanopillars under tensile loading: insights from molecular dynamics simulations"
    R. Namakian et al., J. Mater. Science 59 (2024) 7489-7510 | doi: 10.1007/s10853-024-09632-2
  10. "Competitive segregation to grain boundaries between Cr and Co in FeNiCrCo alloy"
    W. Zhang et al., Surf. Interf. Analysis (accepted) | doi: 10.1002/sia.7307
  11. "Prediction of Mechanical Properties of High-Entropy Carbide (Ti0.2Zr0.2Hf0.2Nb0.2Ta0.2)C with the Use of Machine Learning Potential"
    N.S. Pikalova et al., Phys. Chem. 514 (2024) 9-14 | doi: 10.1134/S0012501624600049
  12. "Atomistic Simulation Study of Grain Boundary Segregation and Grain Boundary Migration in Ni-Cr Alloys"
    P. Huang et al., Metals 14 (2024) 454 | doi: 10.3390/met14040454
  13. "Energetic performance of reactive metal nanoparticles: Computational materials research integrated with science pedagogy"
    P. Luhar et al., MRS Advances (accepted) | doi: 10.1557/s43580-024-00840-1
  14. "Grain boundary effects on defect production and damage cascade evolution in SiC/PyC interface: A molecular dynamics study"
    Z. Cai et al., Mod. Phys. Lett. B (accepted) | doi: 10.1142/S0217984924503299
  15. "Atomistic details of grain, crack, and notch effect on the mechanical behavior and fracture mechanisms of monolayer silicon carbide"
    A.S.M. Jannatul Islam et al., Mater. Chem. Phys. 316 (2024) 129068 | doi: 10.1016/j.matchemphys.2024.129068
  16. "Enhancing understanding metal matrix composites through molecular dynamics simulation: A comprehensive review"
    C. Zhao et al., Comput. Mater. Science 239 (2024) 112993 | doi: 10.1016/j.commatsci.2024.112993
  17. "Atomic insights into the corrosion behavior of Fe-Cr alloys in supercritical CO2 environment"
    Z. Han et al., J. Supercrit. Fluids 209 (2024) 106271 | doi: 10.1016/j.supflu.2024.106271
  18. "Molecular dynamics study of nanostructured polycrystalline CoCrCuFeNi high entropy alloy concerning temperature dependence of deformation-induced phase transformation"
    S. Yoon et al., Mech. Engin. J. (accepted) | doi: 10.1299/mej.23-00551
  19. "Molecular Dynamics Study of Temperature Dependence of Grain Boundaries (100) in Pure Aluminum with Application of Machine Learning"
    E.V. Fomin, Metals 14 (2024) 415 | doi: 10.3390/met14040415
  20. "Hydrogen Diffusion in the Lower Mantle Revealed by Machine Learning Potentials"
    Y. Peng and J. Deng, JGR Solid Earth 129 (2024) e2023JB028333 | doi: 10.1029/2023JB028333
  21. "Nickel Nanoparticles: Insights into Sintering Dynamics"
    L. Bajtošová et al., Crystals 14 (2024) 321 | doi: 10.3390/cryst14040321
  22. "Remarkable strengthening of nanolayered metallic composites by nanoscale crystalline interfacial layers"
    Y. Wang et al., Mater. Today Commun. 39 (2024) 108809 | doi: 10.1016/j.mtcomm.2024.108809
  23. "Atomistic investigation of phase transformations in NiTiCu shape memory alloys"
    W.-S. Ko et al., Int. J. Mech. Sciences 274 (2024) 109256 | doi: 10.1016/j.ijmecsci.2024.109256
  24. "Mechanical property dependence on compositional heterogeneity in Co-P metallic nanoglasses"
    T. Li et al., Scientific Reports 14 (2024) 7458 | doi: 10.1038/s41598-024-58247-9
  25. "Interface Amorphization Controls Maximum Wear Resistance of Multinanolayer DLC/WC Coatings"
    L. Ma et al., ACS Appl. Mater. Interfaces 16 (2024) 18090-18098 | doi: 10.1021/acsami.3c18218
  26. "Atomistic description of conductive bridge formation in two-dimensional material based memristor"
    S. Mitra and S. Mahapatra, npj 2D Mater. Appl. 8 (2024) 26 | doi: 10.1038/s41699-024-00465-w
  27. "Effect of Cr and Ni on mechanical response and microstructural evolution of nanocrystalline ferrite: a molecular dynamics study"
    W. Huang et al., Int. J. Mech. Sciences 273 (2024) 109226 | doi: 10.1016/j.ijmecsci.2024.109226
  28. "Mechanical Properties of Single and Polycrystalline Solids from Machine Learning"
    F.N. Jalolov et al., Adv. Theory Simul. (accepted) 2301171 | doi: 10.1002/adts.202301171
  29. "Powder bed fusion repair of titanium with surface damage: Molecular dynamics study on microstructure and mechanical properties"
    Y. Chen et al., Add. Manufac. 84 (2024) 104096 | doi: 10.1016/j.addma.2024.104096
  30. "A multiscale study on the microstructure and hardening models of the irradiation defects on reactor pressure vessel steels: Modelling and experiment"
    P.-D. Lin et al., J. Mater. Res. Tech. 30 (2024) 520-531 | doi: 10.1016/j.jmrt.2024.03.028
  31. "Mechanical response of monolayer graphene via a multi-probe approach"
    J. Varillas et al., Int. J. Mech. Sci. 273 (2024) 109208 | doi: 10.1016/j.ijmecsci.2024.109208
  32. "Atomistic Simulation of the Effect of H-Phase Precipitate on the Transformation Temperatures and Stress-Induced Phase Transformation in Ni-Rich NiTiHf"
    S. Ataollahi and M.J. Mahtabi, Shape Mem. Superelasticity (accepted) | doi: 10.1007/s40830-024-00478-w
  33. "Compression Eliminates Charge Traps by Stabilizing Perovskite Grain Boundary Structures: An Ab Initio Analysis with Machine Learning Force Field"
    D. Liu et al., Chem. Mater. 36 (2024) 2898-2906 | doi: 10.1021/acs.chemmater.3c03261
  34. "Mechanisms and control of bending of monocrystalline and polycrystalline films by gallium ion irradiation"
    S. Xu et al., Appl. Surf. Sci. 660 (2024) 159927 | doi: 10.1016/j.apsusc.2024.159927
  35. "Applied electric field to repair metal defects and accelerate dehydrogenation"
    Y. Gao et al., Modelling Simul. Mater. Sci. Eng. 32 (2024) 035030 | doi: 10.1088/1361-651X/ad2d67
  36. "Deformation behavior of SmCo compounds via amorphization and recrystallization"
    W. Quan et al., J. Rare Earths (accepted) | doi: 10.1016/j.jre.2024.03.003
  37. "Multi-scale modeling of decohesion characteristics of second phase particles from the matrix in uniaxial tension in a high strength aluminum alloy"
    A. Sarmah and M.K. Jain, Engin. Frac. Mech. 301 (2024) 110013 | doi: 10.1016/j.engfracmech.2024.110013
  38. "Hydration induced mechanical degradation in the Y-doped BaZrO3 solid oxide"
    Z. Wang et al., Comput. Mater. Science 235 (2024) 112824 | doi: 10.1016/j.commatsci.2024.112824
  39. "Effects of grain boundary and gradient structure on machining property of CoCrFeMnNi alloys"
    Y.-S. Lu et al., Modell. Simul. Mater. Sci. Eng. 32 (2024) 035024 | doi: 10.1088/1361-651X/ad2af5
  40. "Mechanical properties of amorphous CO2 hydrates: insights from molecular simulations"
    P. Cao et al., Phys. Chem. Chem. Phys. 26 (2024) 9388-9398 | doi: 10.1039/D4CP00203B
  41. "The relationship between deformation mechanisms and mechanical properties in nanocrystalline Cu/Ag-bilayer alloy"
    P. Li et al., J. Alloys Comp. 986 (2024) 174091 | doi: 10.1016/j.jallcom.2024.174091
  42. "Moment tensor potential for static and dynamic investigations of screw dislocations in bcc Nb"
    N. Zotov et al., Modell. Simul. Mater. Sci. Eng. 32 (2024) 035032 | doi: 10.1088/1361-651X/ad2d68
  43. "Effect of solid solution and vacancies on the mechanical properties of Cu(Al)/Al2Cu/(Cu)Al layered gradient heterostructures"
    A. Wang et al., Phys. B: Condens. Matt. 680 (2024) 415845 | doi: 10.1016/j.physb.2024.415845
  44. "Automated identification and tracking of deformation twin structures in molecular dynamics simulations"
    H.J. Ehrich et al., Comput. Mater. Science 236 (2024) 112878 | doi: 10.1016/j.commatsci.2024.112878
  45. "Analysis of phase stability and chemical segregation in the Mo-V alloys using a generalized embedded atom method potential"
    H. Shi et al., Comput. Mater. Science 233 (2024) 112732 | doi: 10.1016/j.commatsci.2023.112732
  46. "Changing torque-force synchronization condition for abrasive particle improves material removal during silicon carbide abrasive machining"
    H. Chen et al., Tribol. Int. 192 (2024) 109247 | doi: 10.1016/j.triboint.2023.109247
  47. "Molecular Dynamics Study on the Effect of Nb for the Carbon Segregation Behavior Under High Temperature"
    J. Wang et al., Metall. Mater. Trans. B 55 (2024) 1069-1082 | doi: 10.1007/s11663-024-03017-1
  48. "Effects of strain and defects on hydrogen diffusion and trapping in α-iron using a developed Fe-H reactive force field"
    X. Jiang et al., Int. J. Hyd. Energy 58 (2024) 210-222 | doi: 10.1016/j.ijhydene.2024.01.181
  49. "Phase transition lowering in shock compressed single-crystal aluminum: Atomistic insights"
    K. Basavaraj and A. Ray, Phys. Rev. B 109 (2024) 104101 | doi: 10.1103/PhysRevB.109.104101
  50. "Investigating strengthening and softening mechanisms in Al/Ni multilayers via molecular dynamics simulations of uniaxial compression"
    F. Schwarz and R. Spolenak, J. Appl. Phys. 135 (2024) 095302 | doi: 10.1063/5.0190198
  51. "Effects of Chemical Short-Range Order and Temperature on Basic Structure Parameters and Stacking Fault Energies in Multi-Principal Element Alloys"
    S. Mubassira et al., Modelling 5 (2024) 352-366 | doi: 10.3390/modelling5010019
  52. "Twin spacing and grain size dependent tensile deformation mechanism of a nano-ploycrystalline Ni-based alloy"
    J. Chen et al., J. Mater. Res. Tech. 29 (2024) 4306-4316 | doi: 10.1016/j.jmrt.2024.02.175
  53. "Effects of indentation depth and grain size on scratching behavior of nanograin FCC Fe polycrystalline substrate"
    Z. Shi and Y. Meng, Tribol. Int. 193 (2024) 109464 | doi: 10.1016/j.triboint.2024.109464
  54. "Defects Act in an “Introverted” Manner in FeNiCrCoCu High-Entropy Alloy under Primary Damage"
    W. Zhang et al., Metals 14 (2024) 264 | doi: 10.3390/met14030264
  55. "Molecular dynamics simulation of Cr–O–C discrete nuclei to reduce the binding force of nanocrystalline Cu/Ni complexes"
    Z. Hu et al., Comput. Theory 59 (2024) 3531-3543 | doi: 10.1007/s10853-024-09433-7
  56. "Modeling the Effects of Varying the Ti Concentration on the Mechanical Properties of Cu–Ti Alloys"
    V. Fotopoulos et al., ACS Omega 9 (2024) 10286-10298 | doi: 10.1021/acsomega.3c07561
  57. "Alternate activation-annihilation of dislocations realizes the plasticity of sapphire during indentation"
    J. Chen et al., Mater. Design 239 (2024) 112772 | doi: 10.1016/j.matdes.2024.112772
  58. "AlloyManufacturingNet for discovery and design of hardness-elongation synergy in multi-principal element alloys"
    S. Poudel et al., Engin. App. Art. Intell. 132 (2024) 107902 | doi: 10.1016/j.engappai.2024.107902
  59. "Molecular dynamics simulation on the mechanical properties of Zr-Cu metallic nanoglasses with heterogeneous chemical compositions"
    T. Li et al., Front. Mater. 11 (2024) 1355522 | doi: 10.3389/fmats.2024.1355522
  60. "Architectural design of anode materials for superior alkali-ion (Li/Na/K) batteries storage"
    A. Ghahari and H. Raissi, Scientific Reports 14 (2024) 3959 | doi: 10.1038/s41598-024-54214-6
  61. "Effect of layer thickness on mechanical properties of Cu/CoCrFeNi nanolaminates: Implications from a quantitative flow stress model"
    X. Li et al., J. Mater. Res. Tech. 28 (2024) 3485-3493 | doi: 10.1016/j.jmrt.2023.12.218
  62. "Implication of site-specific segregation on grain boundary structural transition and deformation response in nanocrystalline Ni-Nb alloy"
    R.K. Jha et al., Comput. Mater. Science 233 (2024) 112766 | doi: 10.1016/j.commatsci.2023.112766
  63. "Molecular Dynamics Research on Fe Precipitation Behavior of Cu95Fe5 Alloys during Rapid Cooling"
    X. Wang et al., Metals 14 (2024) 228 | doi: 10.3390/met14020228
  64. "Material deformation mechanism of lamellar twined high–entropy alloys during machining"
    T.-N. Vu et al., Modell. Simul. Mater. Science Engin. 32 (2024) 035009 | doi: 10.1088/1361-651X/ad2541
  65. "Maintain sort order of grain boundary to investigate the deformation mechanism of CoCuFeNiPd high–entropy alloys"
    T.-N. Vu et al., Curr. App. Phys. 59 (2024) 46-59 | doi: 10.1016/j.cap.2023.12.018
  66. "An atomistic study on the HELP mechanism of hydrogen embrittlement in pure metal Fe"
    Md S. Hasan et al., Int. J. Hyd. Energy 57 (2024) 60-68 | doi: 10.1016/j.ijhydene.2023.12.274
  67. "Molecular Dynamics Simulation of 40Cr/Q345 Hot Compression Process"
    Y. Liang et al., J. Mater. Engin. Perf. (accepted) | doi: 10.1007/s11665-024-09251-7
  68. "Atomistic investigation of deformation and fracture of individual structural components of metal matrix composites"
    M. Maździarz and S. Nosewicz, Engin. Frac. Mech. 298 (2024) 109953 | doi: 10.1016/j.engfracmech.2024.109953
  69. "Non-Schmid effects in a model refractory multi-principal element alloy: phase-field dislocation dynamics informed by atomistic simulations"
    H. Kim et al., Mater. Res. Lett. 12 (2024) 190-198 | doi: 10.1080/21663831.2024.2313104
  70. "Assessing the feasibility of Na6MgCl8 as a material for all-solid-state sodium ion batteries: A theoretical approach"
    Y.A. Zulueta et al., J. Phys. Chem. Solids 188 (2024) 111916 | doi: 10.1016/j.jpcs.2024.111916
  71. "Effect of grain size and wire size on mechanical properties of polycrystalline Ta nanowire: Molecular Dynamics simulation"
    S. Kazanc and C.A. Canbay, Sol. State Commun. 379 (2024) 115421 | doi: 10.1016/j.ssc.2023.115421
  72. "Origin of prestrain-induced cyclic-strain hardening: Multi-scale experimental characterizations and simulations of 7075 aluminum alloy"
    Z. Zhu et al., Mater. Design 238 (2024) 112711 | doi: 10.1016/j.matdes.2024.112711
  73. "Microstructure evolution and the deformation mechanism in nanocrystalline superior-deformed tantalum"
    P. Li et al., Nanoscale 16 (2024) 4826-4840 | doi: 10.1039/D3NR04183B
  74. "A review on the simulation of selective laser melting AlSi10Mg"
    X. Wang et al., Optics Laser Tech. 174 (2024) 110500 | doi: 10.1016/j.optlastec.2023.110500
  75. "Impact of edge dislocation and grain boundaries on mechanical properties in CoCrCuFeNi high entropy alloy"
    M. Khan et al., J. Appl. Phys. 135 (2024) 055103 | doi: 10.1063/5.0185982
  76. "Molecular Dynamics Simulation Research on Fe Atom Precipitation Behaviour of Cu-Fe Alloys during the Rapid Solidification Processes"
    X. Wang et al., Materials 17 (2024) 719 | doi: 10.3390/ma17030719
  77. "Revealing microstructure evolution and strengthening behavior of high-temperature laser shock peened copper"
    J. Liu et al., Mater. Charac. 209 (2024) 113706 | doi: 10.1016/j.matchar.2024.113706
  78. "Quantitative analysis of performance degradation in movable MEMS devices by a multiscale approach"
    J. Cheng et al., Engin. Failure Analysis 159 (2024) 108081 | doi: 10.1016/j.engfailanal.2024.108081
  79. "matscipy: materials science at the atomic scale with Python"
    P. Grigorev et al., Journal of Open Source Software 9 (2024) 5668 | doi: 10.21105/joss.05668
  80. "Atomic irradiation defects induced hardening model in irradiated tungsten based on molecular dynamics and CPFEM"
    P.-D. Lin et al., Int. J. Plast. 174 (2024) 103895 | doi: 10.1016/j.ijplas.2024.103895
  81. "Separating Geometric and Diffusive Contributions to the Surface Nucleation of Dislocations in Nanoparticles"
    R. Ding et al., ACS Nano 18 (2024) 4170-4179 | doi: 10.1021/acsnano.3c09026
  82. "Molecular dynamics simulation of deformation behavior of nanocrystal CuNiAlCo medium-entropy alloys"
    Q. Li et al., Mater. Today Commun. 38 (2024) 108140 | doi: 10.1016/j.mtcomm.2024.108140
  83. "Investigation of dislocation and twinning behavior in HMX under high-velocity impact employing molecular dynamics simulations"
    C.-S. Yang and S.-H. Zhang, J. Molec. Model. 30 (2024) 50 | doi: 10.1007/s00894-024-05851-1
  84. "Giant Negative Linear Compressibility, Isosymmetric Phase Transition, and Breathing Effect in a 3D Covalent Organic Framework"
    M. Erkartal, J. Phys. Chem. C 128 (2024) 588-596 | doi: 10.1021/acs.jpcc.3c06949
  85. "Molecular dynamics simulations of displacement cascades in LiAlO2 and LiAl5O8 ceramics"
    A. Roy et al., Scientific Reports 14 (2024) 1897 | doi: 10.1038/s41598-024-51222-4
  86. "Revealing the effect of inverse dislocation pileups on the mechanical properties of multi-principal element alloys"
    F. Shuang et al., J. Mater. Science Tech. 190 (2024) 155-171 | doi: 10.1016/j.jmst.2023.12.021
  87. "Molecular dynamics simulations of tensile and creep-ratcheting behaviour of CNT reinforced columnar nanocrystalline Al nanocomposites"
    D.D. Biswajeet et al., Diamond Relat. Mater. 142 (2024) 110850 | doi: 10.1016/j.diamond.2024.110850
  88. "Molecular Dynamics for Materials Modeling: A Practical Approach Using LAMMPS Platform"
    S. Pal and K.V. Reddy, CRC Press (2024) | doi: 10.1201/9781003323495
  89. "Insights into the role of Nb segregation on grain boundary structural transition and mechanical response in a Ni–Nb system"
    R.K. Jha et al., Mater. Chem. Phys. 299 (2024) 127531 | doi: 10.1016/j.matchemphys.2023.127531
  90. "Maximizing the yield stress via synergistic optimization of grain sizes and solute concentrations in extremely fine nanograined metals: A molecular dynamics study"
    H.R. Peng et al., Mater. Today Commun. 38 (2024) 108075 | doi: 10.1016/j.mtcomm.2024.108075
  91. "Influence of strain rate on the compressive behavior of heterogeneous Cu/Ta multilayer: A molecular dynamics simulation study"
    X. Liu et al., Sol. St. Commun. 379 (2024) 115432 | doi: 10.1016/j.ssc.2024.115432
  92. "Effects of grain size and dislocation density on thermally-induced martensitic transformation of nanocrystalline NiTi alloys"
    Z. Zhao et al., J. Alloys Comp. 978 (2024) 173490 | doi: 10.1016/j.jallcom.2024.173490
  93. "Tensile behavior and microstructural evolution of TiMoZrV HEAs: a molecular dynamics study"
    J. Sun et al., Appl. Phys. A 130 (2024) 95 | doi: 10.1007/s00339-023-07255-z
  94. "Deep convolutional neural networks to restore single-shot electron microscopy images"
    I. Lobato et al., npj Comput. Mater. 10 (2024) 10 | doi: 10.1038/s41524-023-01188-0
  95. "The effects of grain size and fractal porosity on thermal conductivity of nano-grained graphite: A molecular dynamics study"
    Q. Wang et al., Int. J. Heat Mass Transf. 220 (2024) 125030 | doi: 10.1016/j.ijheatmasstransfer.2023.125030
  96. "A multiscale FEM-MD coupling method for investigation into atomistic-scale deformation mechanisms of nanocrystalline metals under continuum-scale deformation"
    Y. Yamazaki et al., Phys. Scripta 99 (2024) 025408 | doi: 10.1088/1402-4896/ad1c1e
  97. "Dislocation slip induced lattice rotation in quasi-3D Ni samples during uniaxial tension based on molecular dynamics simulations"
    X. Zhang et al., Comput. Theory 59 (2024) 535-547 | doi: 10.1007/s10853-023-09242-4
  98. "The Plastic Deformation Mechanism in Nano-Polycrystalline Al/Mg Layered Composites: A Molecular Dynamics Study"
    Z. Li et al., Nanomater. 14 (2024) 114 | doi: 10.3390/nano14010114
  99. "Initial Vacancy-Dependent High-Temperature Creep Behavior of Nanocrystalline Ni by Molecular Dynamics Simulation"
    Y. Cui et al., Coatings 14 (2024) 63 | doi: 10.3390/coatings14010063
  100. "Effect of irradiation on mechanical properties of symmetrical grain boundaries in BCC tungsten: an atomistic study"
    P. Lin et al., Appl. Phys. A 130 (2024) 69 | doi: 10.1007/s00339-023-07203-x
  101. "Structural transition and migration of incoherent twin boundary in diamond"
    K. Tong et al., Nature 626 (2024) 79-85 | doi: 10.1038/s41586-023-06908-6
  102. "Phonon thermal transport in bilayer polycrystalline graphene nanoribbons: effects of interlayer interaction, grain size, and vacancy defects"
    Z.-Q. Yang et al., AAPPS Bull. 34 (2024) 1 | doi: 10.1007/s43673-023-00111-5
  103. "Mechanical property evaluation of thin film metallic glasses via molecular dynamics and finite element analyses"
    S. Lee et al., J. Non-Cryst. Solids 624 (2024) 122695 | doi: 10.1016/j.jnoncrysol.2023.122695
  104. "Atomistic Defect Interactions in Aluminum, Copper and Nickel: Edge Dislocations and ⟨112⟩-Axis Symmetric Tilt Grain Boundaries"
    L. Li et al., Mater. Trans. 65 (2024) 1-10 | doi: 10.2320/matertrans.MT-M2023113
  105. "Effects of Bi Inclusion on Tensile Mechanical Property and Deformation Mechanism of Nanopolycrystalline Fe: A Molecular Dynamics study"
    J. Zhang et al., Phys. Metals Metallogr. (accepted) | doi: 10.1134/S0031918X23601932
  106. "Comparison of lubrication mechanism and friction behavior of graphene on stainless steel substrate at different scales"
    W. Guo et al., Appl. Surf. Science 649 (2024) 159192 | doi: 10.1016/j.apsusc.2023.159192
  107. "Studying the effects of Nb on high-temperature deformation in TiAl alloys using atomistic simulations"
    A. Chandran et al., Mater. Design 237 (2024) 112596 | doi: 10.1016/j.matdes.2023.112596
  108. "Effect of Hf and Al on Self-Diffusion in Amorphous Silica Using Molecular Dynamics"
    J.G. Balasubramanian and P.K.Ray, JOM 76 (2024) 941-950 | doi: 10.1007/s11837-023-06323-2
  109. "Deformation mechanisms based on the multiscale molecular dynamics of a gradient TA1 titanium alloy"
    Y. Jiang et al., Nanoscale 16 (2024) 447-461 | doi: 10.1039/D3NR03600F
  110. "Effects of P segregation on deformation mechanism in Ni-P nanocrystalline by atomic simulations"
    Q. Xiao et al., Mater. Today Commun. 38 (2024) 107766 | doi: 10.1016/j.mtcomm.2023.107766
  111. "Molecular dynamics study on the effect of grain size on the plastic deformation of Fe-Cr-Ni alloy nanopolycrystals"
    C. Dong and W. Jiang, Mater. Today Commun. 38 (2024) 107770 | doi: 10.1016/j.mtcomm.2023.107770
  112. "Structural optimization strategies for improving the maximum strength of gradient nanotwinned metals"
    X. Ding et al., Mech. Mater. 189 (2024) 104876 | doi: 10.1016/j.mechmat.2023.104876
  113. "Dislocation evolution mechanism of plastic deformation process of AZ31 magnesium alloy with different grain size"
    C. Xue et al., Comput. Mater. Science 231 (2024) 112606 | doi: 10.1016/j.commatsci.2023.112606
  114. "Microstructure-driven mechanical and electromechanical phenomena in additively manufactured nanocrystalline zinc oxide"
    R.A. Gallivan et al., Nanotechnology 35 (2024) 065706 | doi: 10.1088/1361-6528/ad0984
  115. "Graphene enables equiatomic FeNiCrCoCu high-entropy alloy with improved TWIP and TRIP effects under shock compression"
    H. Xie et al., J. Mater. Science Tech. 170 (2024) 186-199 | doi: 10.1016/j.jmst.2023.06.035
  116. "Mechanical property evaluation of thin film metallic glasses via molecular dynamics and finite element analyses"
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    C.D. Clement et al., Mater. Science Engin. A 892 (2024) 146029 | doi: 10.1016/j.msea.2023.146029
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  153. "Transformation- and twinning-induced plasticity in phase-separated bcc Nb-Zr alloys: an atomistic study"
    Md. Mahmudul Hasan et al., J. Mater. Science (accepted) | doi: 10.1007/s10853-023-09078-y
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  156. "An Investigation of the Growth of Fatigue Cracks in Single Crystal Superelastic NiTi Under High Strain Level Using Molecular Dynamics Simulations"
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  157. "Plastic Deformation in Aluminum Columnar Nanograins"
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  174. "Molecular dynamic simulation of kinetics of fcc–bcc heterointerface in phase transformation of iron and carbon steel"
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    Y. Wang et al., J. Appl. Phys. 134 (2023) 125104 | doi: 10.1063/5.0166511
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  196. "In situ TEM observations and molecular dynamics simulations of deformation defect activities in Mg via nanoindentation"
    Y.-C. Lai et al., J. Magn. Alloys (accepted) | doi: 10.1016/j.jma.2023.08.013
  197. "High-temperature active oxidation of nanocrystalline silicon-carbide: A reactive force-field molecular dynamics study"
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    Y. Yang et al., J. Non-Cryst. Sol. 617 (2023) 122504 | doi: 10.1016/j.jnoncrysol.2023.122504
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  204. "Molecular Dynamics Simulation Study on Impact of Interface Chemistry on Pearlite Mechanical Response"
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  205. "Effects of bismuth nanoparticles on the nano-cutting properties of single-crystal iron materials: a molecular dynamics study"
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  210. "Atomistic study of the properties and behavior under uniaxial tensile stress of some representative UO2 grain boundaries"
    Z.A. Manarosoa et al., Comput. Mater. Science 228 (2023) 112314 | doi: 10.1016/j.commatsci.2023.112314
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  213. "Mechanical behavior of reactive Al/Ni multilayers by molecular dynamics simulations"
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  214. "polyGraft 1.0: A program for molecular structure and topology generation of polymer-grafted hybrid nanostructures"
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  215. "Molecular Dynamics Simulation of Interaction between Edge Dislocations and Stable β-Phase Precipitates in Aluminum Alloy"
    J. Li et al., Phys. Stat. Sol. B 260 (2023) 2300246 | doi: 10.1002/pssb.202300246
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    M. Mińkowski and L. Laurson, Scientific Reports 13 (2023) 13977 | doi: 10.1038/s41598-023-40974-0
  217. "Atomistic simulations of pipe diffusion in bcc transition metals"
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  218. "Atomistic modeling of Mg-Al-Zn solid–liquid interfacial free energy"
    Y. Sun and Y. Chen, Comput. Mater. Science 229 (2023) 112398 | doi: 10.1016/j.commatsci.2023.112398
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  220. "Grain size and scratching depth dependent tribological characteristics of CrCoNi medium-entropy alloy coatings: A molecular dynamics simulation study"
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  225. "Effect of Al2Cu constituent layer thickness discrepancy on the tensile mechanical behavior of Cu/Al2Cu/Al layered composites: a molecular dynamics simulation"
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