The Swiss-army knife of atomic simulations


If you use Atomsk in your work, the citation of the following article will be greatly appreciated:

Atomsk was cited in the following published works. Many thanks to their authors!

  1. "[100] Dislocation core extension and decomposition in BCC bicrystal under biaxial loading"
    Q.-Q. Deng et al., Comput. Mater. Science 218 (2023) 111892 | doi: 10.1016/j.commatsci.2022.111892
  2. "Dipolar and quadrupolar characteristics of shear transformation in two dimensional metallic glasses"
    R.-H. Shi et al., Mater. Today Commun. 34 (2023) 105389 | doi: 10.1016/j.mtcomm.2023.105389
  3. "The role of native oxide on the mechanical behavior of silicon nanowires"
    S.Z. Pakzad et al., Mater. Today Commun. 34 (2023) 105002 | doi: 10.1016/j.mtcomm.2022.105002
  4. "Cutting performance of the nanotwinned cBN tool in nano-cutting of Ni-Cr-Fe alloy"
    Z. Hao et al., J. Manufac. Processes 95 (2023) 521-534 | doi: 10.1016/j.jmapro.2023.04.043
  5. "Anisotropic orientation dependent shock wave responses of monocrystalline molybdenum"
    Y. Hu et al., J. Mater. Res. Tech. (accepted) | doi: 10.1016/j.jmrt.2023.05.245
  6. "Dependence of mechanical and surface characteristics on twin boundaries of CoCrFeNiAl high-entropy alloy"
    D. Dinh-Quan, Physica E: Low-Dim. Sys. Nanostr. 153 (2023) 115763 | doi: 10.1016/j.physe.2023.115763
  7. "Cobalt diffusion during the Initial Stage of CVD Diamond Growth on Cemented Carbide – A Molecular Dynamics and Experimental Study"
    Y. Qiao et al., Appl. Surf. Science 633 (2023) 157589 | doi: 10.1016/j.apsusc.2023.157589
  8. "Molecular Dynamics Simulation of Solution Strengthening of Si and Cu Atoms in Aluminum Alloy"
    S. Kong et al., Phys. Stat. Sol. (accepted) | doi: 10.1002/pssb.202300108
  9. "Grain-size effects of TiC on mechanical properties in diamond/TiC combinations: A molecular dynamics exploration"
    J. Zhou et al., Diamond Rel. Mater. 136 (2023) 110051 | doi: 10.1016/j.diamond.2023.110051
  10. "Size-Dependent Role of Surfaces in the Deformation of Platinum Nanoparticles"
    S. Azadehranjbar et al., ACS Nano. 17 (2023) 8133-8140 | doi: 10.1021/acsnano.2c11457
  11. "Solid solution softening in single crystalline metal nanowires studied by atomistic simulations"
    Z. Zhang and C. Deng, Phys. Rev. Mater. 7 (2023) 053611 | doi: 10.1103/PhysRevMaterials.7.053611
  12. "Grain boundary serration tuning and its effect on hot workability of a wrought superalloy"
    T.-W. Chen et al., J. Alloys Comp. 960 (2023) 170620 | doi: 10.1016/j.jallcom.2023.170620
  13. "Improving output performance of ultrasonic motor by coating MoS2 on the stator"
    G. Wang et al., Tribo. Int. 186 (2023) 108608 | doi: 10.1016/j.triboint.2023.108608
  14. "Effect of Intragranular Solute Atom Segregation on the Mechanical Properties of the Ni–Co Alloy"
    X. Lu et al., J. Phys. Chem. C 127 (2023) 9717-9724 | doi: 10.1021/acs.jpcc.3c01720
  15. "Unveiling the mechanisms of motion of synchro-Shockley dislocations in Laves phases"
    Z. Xie et al., Phys. Rev. Mater. 7 (2023) 053605 | doi: 10.1103/PhysRevMaterials.7.053605
  16. "Effect of Al Segregation on Mechanical Properties and Deformation Mechanism of Nanocrystalline NiCoAl"
    W. Zhang et al., Cryst. Growth Des. (accepted) | doi: 10.1021/acs.cgd.3c00374
  17. "Effects of lattice distortion and chemical short-range ordering on the incipient behavior of Ti-based multi-principal element alloys: MD simulations and DFT calculations"
    X. Zhang et al., Int. J. Plast. 166 (2023) 103643 | doi: 10.1016/j.ijplas.2023.103643
  18. "Twin thickness-dependent tensile deformation mechanism on strengthening-softening of Si nanowires"
    M. Meaza Yimer et al., Heliyon 9 (2023) E16039 | doi: 10.1016/j.heliyon.2023.e16039
  19. "The effects of hydrogen and vacancy on the tensile deformation behavior of Σ3 symmetric tilt grain boundaries in pure Fe"
    R. Wang et al., Int. J. Hydrog. Energy (accepted) | doi: 10.1016/j.ijhydene.2023.04.186
  20. "Transition in Helium Bubble Strengthening of Copper from Quasi-static to Dynamic Deformation"
    C.R. Lear et al., Acta Mater. 254 (2023) 118987 | doi: 10.1016/j.actamat.2023.118987
  21. "Molecular Dynamics Study on the Effects of Substrate Grain Boundaries on the Adsorption State of Graphene: Implications for Nanoscale Lubrication"
    W. Guo et al., ACS Appl. Nano Mater. 6 (2023) 8093-8104 | doi: 10.1021/acsanm.3c01666
  22. "Hydrogen retention and affecting factors in rolled tungsten: Thermal desorption spectra and molecular dynamics simulations"
    H. Chen et al., Int. J. Hydrog. Energy (accepted) | doi: 10.1016/j.ijhydene.2023.03.151
  23. "Laser assisted fabrication of mechanochemically robust Ti3Au intermetallic at Au-Ti interface"
    O. Bialas et al., Engin. Science Tech. Int. J. 42 (2023) 101413 | doi: 10.1016/j.jestch.2023.101413
  24. "Super Strengthening Nano-Polycrystalline Diamond through Grain Boundary Thinning"
    M. Yao et al., Adv. Func. Mater. 33 (2023) 2214696 | doi: 10.1002/adfm.202214696
  25. "Achieving Superelasticity in Additively Manufactured Ni-Lean NiTi by Crystallographic Design"
    J.-N. Zhu et al., Mater. Design 230 (2023) 111949 | doi: 10.1016/j.matdes.2023.111949
  26. "Atomistic modeling to the investigation of irradiation effect on optical properties of LiI/ZnS scintillator in a research reactor-based neutron radiography facility"
    M.H. Rahimi et al., Nucl. Instrum. Methods Phys. Res. B 538 (2023) 1-7 | doi: 10.1016/j.nimb.2023.02.025
  27. "Automated calculations of exchange magnetostriction"
    P. Nieves et al., Comput. Mater. Science 224 (2023) 112158 | doi: 10.1016/j.commatsci.2023.112158
  28. "A novel strengthening mechanism in crystalline/amorphous dual-phase Mg alloys: A molecular dynamics study"
    L. Han et al., J. Non-Cryst. Sol. 608 (2023) 122241 | doi: 10.1016/j.jnoncrysol.2023.122241
  29. "Atomistically-informed hardening and kinetics models of helium bubble in irradiated tungsten"
    C. Ji et al., Int. J. Plast. 165 (2023) 103620 | doi: 10.1016/j.ijplas.2023.103620
  30. "Atomistic Investigation of the Influence of Hydrogen on Mechanical Response during Nanoindentation in Pure Iron"
    W. Lou et al., Acta Metall. Sin. (Engl. Lett.) (accepted) | doi: 10.1007/s40195-023-01555-2
  31. "Study of HCP→FCC phase transformation mechanism under different hot compression rates of AZ31 magnesium alloy"
    C. Xue et al., J. Magn. Alloys (accepted) | doi: 10.1016/j.jma.2023.02.012
  32. "Atomistic simulation of tribology behaviors of Ti-based FeCoNiTi high entropy alloy coating during nanoscratching"
    J. Ren et al., Vacuum 213 (2023) 112124 | doi: 10.1016/j.vacuum.2023.112124
  33. "Origins of strengthening and toughening effects in twinned nanocrystalline alloys of low stacking fault energy with heterogeneous grain structure"
    K. Gan et al., J. Mech. Phys. Sol. 176 (2023) 105305 | doi: 10.1016/j.jmps.2023.105305
  34. "Structure and Migration Mechanisms of Small Vacancy Clusters in Cu: A Combined EAM and DFT Study"
    V. Fotopoulos et al., Nanomaterials 13 (2023) 1464 | doi: 10.3390/nano13091464
  35. "Extreme flexibility and unusual piezomechanical properties of zinc-alkyl-based metal-organic frameworks: A first principles study"
    M. Erkartal, Mater. Commun. Today 35 (2023) 106054 | doi: 10.1016/j.mtcomm.2023.106054
  36. "Regulating the dislocation-nanocluster interactions by electrical pulses to alleviate material hardening"
    B. Li et al., Mater. Science Engin.: A 874 (2023) 145064 | doi: 10.1016/j.msea.2023.145064
  37. "Effect of solute distribution on the screw dislocation motion in bcc Fe-based systems"
    R.K. Barik et al., Comput. Mater. Science 226 (2023) 112211 | doi: 10.1016/j.commatsci.2023.112211
  38. "Effects of structure and strain rate on deformation mechanism of twin lamellar Al0.3CoCrFeNi alloys"
    T.-N. Vu et al., J. Alloys Comp. 954 (2023) 170174 | doi: 10.1016/j.jallcom.2023.170174
  39. "Hydrogen distribution between the Earth's inner and outer core"
    L. Yuan and G. Steinle-Neumann, Earth Planet. Science Lett. 609 (2023) 118084 | doi: 10.1016/j.epsl.2023.118084
  40. "Evaluation of Adsorption and Mechanical Strength of 13X Zeolite Mixtures with Phyllosilicate Binders using Molecular Dynamics Simulation and Positron Annihilation Spectroscopy"
    M.L. Lau et al., Chem. Engin. Science 276 (2023) 118744 | doi: 10.1016/j.ces.2023.118744
  41. "Analysis of grain-boundary segregation of hydrogen in bcc-Fe polycrystals via a nano-polycrystalline grain-boundary model"
    K. Ito et al., Comput. Mater. Science 225 (2023) 112196 | doi: 10.1016/j.commatsci.2023.112196
  42. "EBSD Patterns Simulation of Dislocation Structures Based on Electron Diffraction Dynamic Theory"
    X. Li et al., Micron 169 (2023) 103461 | doi: 10.1016/j.micron.2023.103461
  43. "Nano-tribological behavior of CuCoCrFeNi high-entropy alloys at cryogenic temperature: A molecular dynamics study"
    G. Lei et al., J. Appl. Phys. 133 (2023) 155901 | doi: 10.1063/5.0142135
  44. "Molecular Dynamics Study of the Tensile Properties of Gold Nanocrystalline Films Irradiated by Gallium Ions"
    S. Xu et al., J. Nucl. Mater. 581 (2023) 154448 | doi: 10.1016/j.jnucmat.2023.154448
  45. "Effect of Copper Segregation at Low-Angle Grain Boundaries on the Mechanisms of Plastic Relaxation in Nanocrystalline Aluminum: An Atomistic Study"
    V. Krasnikov et al., Materials 16 (2023) 3091 | doi: 10.3390/ma16083091
  46. "Rediscovering the intrinsic mechanical properties of bulk nanocrystalline indium arsenide"
    S. Li et al., Nanoscale 15 (2023) 7517-7525 | doi: 10.1039/D3NR00174A
  47. "Complex strengthening mechanisms in nanocrystalline Ni-Mo alloys revealed by a machine-learning interatomic potential"
    X.-G. Li et al., J. Alloys Comp. 952 (2023) 169964 | doi: 10.1016/j.jallcom.2023.169964
  48. "Oxygen fugacity buffering in high-pressure solid media assemblies from IW-6.5 to IW+4.5 and application to the V K-edge oxybarometer"
    K. Righter et al., Am. Miner. 108 (2023) 498-513 | doi: 10.2138/am-2022-8301
  49. "Hierarchical lath colonies induced by dislocation rearrangement improve thermal cyclic stability of NiTi shape memory alloy"
    K. Xu et al., Scripta Mater. 231 (2023) 115469 | doi: 10.1016/j.scriptamat.2023.115469
  50. "Research on the behaviour and mechanism of void welding based on multiple scales"
    R. Shi et al., High Temp. Mater. Processes 42 (2023) 20220271 | doi: 10.1515/htmp-2022-0271
  51. "Determination of thermal conductivity of eutectic Al-Cu compounds utilizing experiments, molecular dynamics simulations and machine learning"
    A. Nazarahari et al., Modell. Simul. Mater. Science Engin. 31 (2023) 045001 | doi: 10.1088/1361-651X/acc960
  52. "Effects of h-BN additives on tensile mechanical behavior of Fe matrix: A molecular dynamics study"
    M. Wang et al., Comput. Mater. Science 91 (2023) 112136 | doi: 10.1016/j.commatsci.2023.112136
  53. "A molecular dynamics study of atomic diffusion effects on thermomechanical properties applying laser additive alloying process for the Cantor high entropy alloy"
    M. Farias et al., J. Manufac. Processes 91 (2023) 149-166 | doi: 10.1016/j.jmapro.2023.02.016
  54. "A methodology to generate crystal-based molecular structures for atomistic simulations"
    C.F.A. Negre et al., J. Phys.: Condens. Matt. 35 (2023) 225001 | doi: 10.1088/1361-648X/acc294
  55. "Transfer or blockage: Unraveling the interaction between deformation twinning and grain boundary in tantalum under shock loading with molecular dynamics"
    Z.C. Meng et al., J. Mater. Science Tech. 156 (2023) 118-128 | doi: 10.1016/j.jmst.2023.01.039
  56. "Misorientation and Temperature Dependence of Small Angle Twist Grain Boundaries in Silicon: Atomistic Simulation of Directional Growth"
    W. Wan et al., Cryst. Growth Des. 23 (2023) 2893-2904 | doi: 10.1021/acs.cgd.3c00056
  57. "Grain size responsive uniaxial tensile behavior of polycrystalline nanocopper under different temperatures and strain rates"
    R. Kumar et al., Multidiscip. Model. Mater. Struc. 19 (2023) 507-521 | doi: 10.1108/MMMS-09-2022-0187
  58. "Inverse Hall–Petch effect in nanocrystalline ice predicted by machine-learned coarse-grained molecular simulations"
    G. Chen et al., J. Micromech. Mol. Phys. 8 (2023) 1-10 | doi: 10.1142/S2424913022500011
  59. "Laser shock peening strengthens additively manufactured high-entropy alloy through novel surface grain rotation"
    Y. Bai et al., Mater. Science Eng. A 871 (2023) 144886 | doi: 10.1016/j.msea.2023.144886
  60. "An atomistic study on tensile behaviors of nanocrystalline copper"
    Y. Zhang et al., Phys. Scr. 98 (2023) 045902 | doi: 10.1088/1402-4896/acc1ac
  61. "Using Molecular Dynamic Simulation to Understand the Deformation Mechanism in Cu, Ni, and Equimolar Cu-Ni Polycrystalline Alloys"
    S. Yazdani and V. Vitry, Alloys 2 (2023) 77-88 | doi: 10.3390/alloys2010005
  62. "Super Strengthening Nano-Polycrystalline Diamond through Grain Boundary Thinning"
    M. Yao et al., Adv. Func. Mater. 33 (2023) 2214696 | doi: 10.1002/adfm.202214696
  63. "Atomic-scale deformation mechanisms of nano-polycrystalline Cu/Al layered composites: A molecular dynamics simulation"
    X. Bian et al., J Mater. Res. Tech. 24 (2023) 1177-1189 | doi: 10.1016/j.jmrt.2023.03.067
  64. "Structure and mobility of ⟨a⟩-type screw dislocation in presence of H in α-Ti from first-principles"
    Y. Jia et al., Acta Mater. 250 (2023) 118842 | doi: 10.1016/j.actamat.2023.118842
  65. "Mechanism on Material Strengthening of Metastable Precipitate and Edge Dislocation in Al–Mg–Si Alloy"
    S. Kong et al., Phys. Stat. Sol. B (accepted) 2200478 | doi: 10.1002/pssb.202200478
  66. "Orientation-dependent ductility and deformation mechanisms in body-centered cubic molybdenum nanocrystals"
    H. Peng et al., J. Mater. Science Tech. 154 (2023) 107-113 | doi: 10.1016/j.jmst.2022.12.062
  67. "Microstructure and deformation mechanism of dual-phase Al0.5CoCrNiFe high-entropy alloy"
    Y.-G. Tong et al., Rare Metals 42 (2023) 2020-2027 | doi: 10.1007/s12598-022-02205-9
  68. "Quantification of the atomic surfaces and volumes of a metal cluster based on the molecular surface model"
    Y. Yu and J. Cui, Phys. Scr. 98 (2023) 045704 | doi: 10.1088/1402-4896/acbca8
  69. "Untra-fine-grained equiatomic CoCrNi medium entropy alloys with high density stacking faults and strengthening mechanisms"
    R. Yang et al., Mater. Science Engin. A 870 (2023) 144880 | doi: 10.1016/j.msea.2023.144880
  70. "Defects in Titanium Aluminum Nitride-Based Thin Films"
    J. Salamania, PhD thesis, Linköping University (2023) | doi: 10.3384/9789180750608
  71. "Molecular dynamics investigation of loading orientation effect on dynamic behaviors of void in aluminum"
    X. Yang et al., Vacuum 211 (2023) 111967 | doi: 10.1016/j.vacuum.2023.111967
  72. "Crystal orientation-dependent tensile mechanical behavior and deformation mechanisms of zinc-blende ZnSe nanowires"
    A.S.M. Jannatul Islam et al., Scientific Reports 13 (2023) 3532 | doi: 10.1038/s41598-023-30601-3
  73. "Mechanical Behavior and Physical Properties of Mg Binary Alloys via Y-doping: Molecular Dynamic Study"
    F. Gao et al., J. Mater. Eng. Perform. (accepted) | doi: 10.1007/s11665-022-07609-3
  74. "Probing the atomic-scale deformation mechanism of single-crystal nanowires coated with a multi-component alloyed shell"
    K. Gan et al., Comput. Mater. Science 220 (2023) 112056 | doi: 10.1016/j.commatsci.2023.112056
  75. "Load versus displacement-controlled nanocompression: Insights from atomistic simulations"
    H. Iteney et al., Scripta Mater. 226 (2023) 115245 | doi: 10.1016/j.scriptamat.2022.115245
  76. "Probing plastic mechanisms in gradient dual-phase high-entropy alloys under nanoindentation"
    Z. Zhao and J. Liu, J. Alloys Comp. 946 (2023) 169424 | doi: 10.1016/j.jallcom.2023.169424
  77. "Pseudo-Elasticity and Variable Electro-Conductivity Mediated by Size-Dependent Deformation Twinning in Molybdenum Nanocrystals"
    H. Peng et al., Small 19 (2023) 2206380 | doi: 10.1002/smll.202206380
  78. "Triple junction solute segregation in Al-based polycrystals"
    N. Tuchinda and C.A. Schuh, Phys. Rev. Mater. 7 (2023) 023601 | doi: 10.1103/PhysRevMaterials.7.023601
  79. "CEGANN: Crystal Edge Graph Attention Neural Network for multiscale classification of materials environment"
    S. Banik et al., npj Comput. Mater. 9 (2023) 23 | doi: 10.1038/s41524-023-00975-z
  80. "Structural transformation of Ti-based alloys during tensile and compressive loading: An insight from molecular dynamics simulations"
    R. Arifin et al., MRS Commun. 13 (2023) 225-232 | doi: 10.1557/s43579-023-00333-6
  81. "Quantitative determination of the generalized stability of Fe-based binary alloys"
    Z. Ding et al., Materialia 28 (2023) 101712 | doi: 10.1016/j.mtla.2023.101712
  82. "Inverse Hall-Petch Behavior in Nanocrystalline Aluminum Using Molecular Dynamics"
    A.M. Barboza et al., Ingeniería e Investigación 43 (2023) e93635 | doi: 10.15446/ing.investig.93635
  83. "Physical properties of computationally informed phyto-engineered 2-D nanoscaled hydronium jarosite"
    N.L. Botha et al., Scientific Reports 13 (2023) 2442 | doi: 10.1038/s41598-022-25723-z
  84. "Atomistic insight of torsional behavior of CNT-nanocrystalline Al nanocomposites"
    P.N. Babu et al., Dia. Rel. Mater. 134 (2023) 109768 | doi: 10.1016/j.diamond.2023.109768
  85. "Simulation of bulk and grain boundary diffusion phenomena in a high entropy CoCrFeMnNi alloy by molecular dynamics"
    F. Junhong and Z. Weiqiang, Phys. Scr. 98 (2023) 035006 | doi: 10.1088/1402-4896/acb17e
  86. "Molecular Dynamics Simulation of Ti Metal Cutting Using a TiN:Ag Self-Lubricating Coated Tool"
    V. Lenzi and L. Marques, Materials 16 (2023) 1344 | doi: 10.3390/ma16041344
  87. "Part geometry-driven crystallographic texture control in a 3D-printed austenitic steel – a strategy for near-monocrystalline microstructure generation"
    S. Chandra et al., Scripta Mater. 226 (2023) 115255 | doi: 10.1016/j.scriptamat.2022.115255
  88. "Nanoindentation characteristics of nanocrystalline tungsten via atomistic simulation"
    Y. Hu et al., Philos. Mag. 103 (2023) 749-767 | doi: 10.1080/14786435.2023.2173328
  89. "Effect of nano-CaO particle on the microstructure, mechanical properties and corrosion behavior of lean Mg-1Zn alloy"
    G. Shen et al., J. Magn. Alloys (accepted) | doi: 10.1016/j.jma.2022.12.009
  90. "ABC-FIRE: Accelerated Bias-Corrected Fast Inertial Relaxation Engine"
    S.E. Restrepo and P. Andric, Comput. Mater. Science 218 (2023) 111978 | doi: 10.1016/j.commatsci.2022.111978
  91. "Influence of overlap precipitate on the strength–ductility synergy of the Al–10.0Zn–3.0Mg–2.5Cu alloy with a new aging strategy"
    X. Ren et al., J. Mater. Res. Tech. 23 (2023) 2730-2739 | doi: 10.1016/j.jmrt.2023.01.169
  92. "Dislocation behavior in initial stage of plastic deformation for CoCrNi medium entropy alloy"
    Z. Jinfei et al., J. Alloys Comp. 943 (2023) 169057 | doi: 10.1016/j.jallcom.2023.169057
  93. "Effect of twins on scratching behavior of nanotwinned diamond: A molecular dynamics simulation"
    J. Chen et al., Appl. Surf. Science 616 (2023) 156545 | doi: 10.1016/j.apsusc.2023.156545
  94. "Limitations of meta-atom potential for analyzing dislocation core structure in TWIP steel"
    S.S.R. Pulagram and A. Dutta, Mech. Mater. 178 (2023) 104563 | doi: 10.1016/j.mechmat.2023.104563
  95. "Investigation on the mechanical behaviors of porous Al–Mg honeycombs with grain boundary affect zone segregated structure"
    G. Li et al., J. Nanopart. Res. 25 (2023) 23 | doi: 10.1007/s11051-023-05669-7
  96. "Experimental and Computational Study of Microstructure of Al2FeCoNiCu High-Entropy Alloy"
    M.B. Kivy et al., J. Phase Eq. Diff. 44 (2023) 76-85 | doi: 10.1007/s11669-023-01024-4
  97. "Atomic-Scale Study on the Interaction Mechanism between Cracking and Typical Grain Boundaries in 15-5 PH Stainless Steel"
    B. Li et al., Steel Res. Int. 94 (2023) 2200509 | doi: 10.1002/srin.202200509
  98. "Optimal grain size distribution in gradient nano-grained nickel"
    S. Zhou et al., Vacuum 210 (2023) 111854 | doi: 10.1016/j.vacuum.2023.111854
  99. "Temperature dependent stacking fault free energy profiles and partial dislocation separation in FCC Cu"
    R. Namakian et al., Comput. Mater. Science 218 (2023) 111971 | doi: 10.1016/j.commatsci.2022.111971
  100. "Atomistic understanding towards twin boundary on the effect of crack propagation in FeNiCrCoCu high-entropy alloy and Ni"
    Z. Zhang et al., Mater. Today Commun. 34 (2023) 105414 | doi: 10.1016/j.mtcomm.2023.105414
  101. "Molecular dynamics simulations of radiation response of LiAlO2 and LiAl5O8"
    A. Roy et al., J. Nucl. Mater. 576 (2023) 154280 | doi: 10.1016/j.jnucmat.2023.154280
  102. "Atomic simulation study on the effect of Y atom and grain boundary on tensile deformation in polycrystalline magnesium alloy"
    W. Mei et al., J. Mater. Res. Tech. 23 (2023) 931-942 | doi: 10.1016/j.jmrt.2023.01.059
  103. "Diffusion in undoped and Cr-doped amorphous UO2"
    M.W. Owen et al., J. Nucl. Mater. 576 (2023) 154270 | doi: 10.1016/j.jnucmat.2023.154270
  104. "Dipolar and quadrupolar characteristics of shear transformation in two dimensional metallic glasses"
    R.-H. Shi et al., Mater. Today Commun. 34 (2023) 105389 | doi: 10.1016/j.mtcomm.2023.105389
  105. "Response embedded atom model potential of Pb at finite temperature: application on the dislocation mobility"
    P. Li et al., Phys. Scr. 98 (2023) 025401 | doi: 10.1088/1402-4896/acaeec
  106. "Molecular Dynamics Study on Hugoniot State and Mie–Grüneisen Equation of State of 316 Stainless Steel for Hydrogen Storage Tank"
    L. Yang et al., Materials 16 (2023) 628 | doi: 10.3390/ma16020628
  107. "Molecular dynamics analysis of friction damage on nano-twin 6H-SiC surface"
    D. Yu et al., Tribo. Int. 180 (2023) 108223 | doi: 10.1016/j.triboint.2023.108223
  108. "Comparison of the different distribution functions in Gd-doped ceria system by molecular dynamics simulations"
    S. Vives et al., J. Phys.: Condens. Matt. 35 (2023) 105902 | doi: 10.1088/1361-648X/acadc7
  109. "Tensile responses of polycrystalline Mo via molecular dynamics simulation: Grain size and temperature effects"
    Y. Hu et al., Mater. Chem. Phys. 296 (2023) 127270 | doi: 10.1016/j.matchemphys.2022.127270
  110. "A texture connection model of as-extruded magnesium alloy in semi-solid partial remelting process"
    X. Zhang et al., J. Mater. Science 58 (2023) 1330-1344 | doi: 10.1007/s10853-022-08065-z
  111. "Influence of V addition on the mechanical properties of FeCo alloys: a molecular dynamics study"
    M. Muralles et al., Materialia 27 (2023) 101670 | doi: 10.1016/j.mtla.2022.101670
  112. "Precipitation behavior and microstructural evolution during thermo-mechanical processing of precipitation hardened Cu-Hf based alloys"
    Y. Jiang et al., Acta Mater. 245 (2023) 118659 | doi: 10.1016/j.actamat.2022.118659
  113. "The Vibrational Entropy Spectra of Grain Boundary Segregation in Polycrystals"
    N. Tuchinda and C.A. Schuh, Acta Mater. 245 (2023) 118630 | doi: 10.1016/j.actamat.2022.118630
  114. "Effects of atomic size misfit on dislocation mobility in FCC dense solid solution: Atomic simulations and phenomenological modeling"
    Y. Tian et al., Int. J. Plast. 160 (2023) 103504 | doi: 10.1016/j.ijplas.2022.103504
  115. "A molecular dynamics study of laser melting of densely packed stainless steel powders"
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