Atomsk

The Swiss-army knife of atomic simulations

Citations

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!

    2024
  1. "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
  2. "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
  3. "Mechanical property evaluation of thin film metallic glasses via molecular dynamics and finite element analyses"
    S. Lee et al., J. Non-Cryst. Sol. 624 (2024) 122695 | doi: 10.1016/j.jnoncrysol.2023.122695
  4. "Subgrain-assisted spontaneous grain refinement in rapid solidification of undercooled melts"
    J. Zhang et al., J. Mater. Science Tech. 174 (2024) 234-248 | doi: 10.1016/j.jmst.2023.06.068
  5. "Hydrogen trapping and diffusion in polycrystalline nickel: The spectrum of grain boundary segregation"
    Y. Ding et al., J. Mater. Science Tech. 173 (2024) 225-236 | doi: 10.1016/j.jmst.2023.07.027
  6. "High Temperature Tensile and Compressive Behaviors of Nanostructured Polycrystalline AlCoCrFeNi High Entropy Alloy: A Molecular Dynamics Study"
    S. Yoon et al., J. Engin. Mater. Tech. 146 (2024) 021003 | doi: 10.1115/1.4063802
  7. "Surface atom migration-involved two-dimensional nucleation and growth of nanotwinned copper in DC electrodeposition"
    P. Chen et al., Acta Mater. 262 (2024) 119468 | doi: 10.1016/j.actamat.2023.119468
  8. "Development of a velocity measurement method for a microparticle projectile and high-speed impact testing of metallic materials for grain refinement"
    M. Kajihara et al., Acta Mater. 262 (2024) 119467 | doi: 10.1016/j.actamat.2023.119467
  9. "Pyrough: A tool to build 3D samples with rough surfaces for atomistic and finite-element simulations"
    H. Iteney et al., Comput. Phys. Commun. 295 (2024) 108958 | doi: 10.1016/j.cpc.2023.108958
  10. "Atomic insights into hydrogen peroxide decomposition on the surface of pure and pre-treated silver: A reactive molecular dynamics simulation study"
    X. Zhao et al., Appl. Surf. Science 644 (2024) 158701 | doi: 10.1016/j.apsusc.2023.158701
  11. "Atomic insights into the tensile behavior of carbon nanotube with different geometrical characteristics embedded in nickel matrix"
    Y. Yan et al., Diamond Rel. Mater. 141 (2024) 110576 | doi: 10.1016/j.diamond.2023.110576
  12. "FEDIS: A set of algorithms for defect identification"
    Y. Wang et al., Int. J. Mod. Phys. C 35 (2024) 2450012 | doi: 10.1142/S0129183124500128
  13. "Deep machine learning, molecular dynamics and experimental studies of liquid Al-Cu-Co alloys"
    L.V. Kamaeva et al., J. Molec. Liq. 393 (2024) 123659 | doi: 10.1016/j.molliq.2023.123659
    14. 2023
  14. "Structural evolutions under surface oxidation of AgPd Alloy: From Orientation, composition and strain effects to catalytic application"
    L. Guo et al., Appl. Surf. Science (accepted) 159026 | doi: 10.1016/j.apsusc.2023.159026
  15. "The Optimum Grain Size of Nanocrystalline CuNi Alloy with Grain Boundary Segregation Structure"
    M. Chen, Cryst. Growth Des. (accepted) | doi: 10.1021/acs.cgd.3c01009
  16. "Double strengthening induced by grain boundary segregation of solute elements in gradient nano Ni–Co alloys"
    W. Zhang et al., Phys. Chem. Chem. Phys. 25 (2023) 32142-32150 | doi: 10.1039/D3CP03613H
  17. "Molecular Dynamics Study on Adding Tungsten-Carbide Grains to 304 Stainless Steel Polycrystals"
    C. Dong and W. Jiang, Phys. Stat. Sol. B (accepted) 2300282 | doi: 10.1002/pssb.202300282
  18. "Atomic mixing mechanisms in nanocrystalline Cu/Ni composites under continuous shear deformation and thermal annealing"
    N. Chen et al., J. Mater. Res. Tech. 27 (2023) 6792-6798 | doi: 10.1016/j.jmrt.2023.11.089
  19. "ReaxFF study of the decarboxylation of methyl palmitate over binary metallic nickel-molybdenum catalysts"
    M. Nyepetsi et al., Molec. Simul. (accepted) | doi: 10.1080/08927022.2023.2283539
  20. "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
  21. "Atomic scale melting/solidification behavior and structural evolutions of AlCoCrFeNi high-entropy alloy during selective laser melting process"
    M. Moradi-Ganjeh et al., J. Mater. Res. Tech. 27 (2023) 6811-6821 | doi: 10.1016/j.jmrt.2023.11.149
  22. "Lightweight Extendable Stacking Framework for Structure Classification in Atomistic Simulations"
    Y. Deng et al., J. Chem. Theory Comput. 19 (2023) 8332-8339 | doi: 10.1021/acs.jctc.3c00838
  23. "An Investigation of the Growth of Fatigue Cracks in Single Crystal Superelastic NiTi Under High Strain Level Using Molecular Dynamics Simulations"
    S. Ataollahi et al., Arab. J. Science Engin. (accepted) | doi: 10.1007/s13369-023-08460-x
  24. "Plastic Deformation in Aluminum Columnar Nanograins"
    S. Dong and C. Zhou, Nanostruc. Mater. Extreme Env. (accepted) | doi: 10.1007/s11837-023-06247-x
  25. "Effect of Temperature, Pressure, Crystal Defect Types, and Densities on the Mechanical Behavior of Tungsten under Tensile Deformation: A Molecular Dynamics Simulation Study"
    A. Alivaliollahi et al., Nucl. Mater. Energy 37 (2023) 101555 | doi: 10.1016/j.nme.2023.101555
  26. "Correlation between grain size and dynamic response of NiTi alloy during intense shock-induced multi-spallation"
    X. Wu et al., Mater. Res. Today 37 (2023) 107515 | doi: 10.1016/j.mtcomm.2023.107515
  27. "Shock response of single crystal rhenium: Effect of crystallographic orientation"
    M. Hu et al., J. Mater. Res. Tech. 27 (2023) 4812-4824 | doi: 10.1016/j.jmrt.2023.10.248
  28. "First-Principles Study of Adsorption of Pb Atoms on 3C-SiC"
    M. Komorowicz et al., Materials 16 (2023) 6700 | doi: 10.3390/ma16206700
  29. "Insights into the influence of Ni4Ti3 precipitates and martensite transformation on the glide of a[100] dislocation in austenitic NiTi alloys: an atomistic simulation study"
    Z. Li et al., J. Mater. Res. Tech. 27 (2023) 7548-7561 | doi: 10.1016/j.jmrt.2023.10.186
  30. "Investigation on wear-resistance of nanocrystalline Pt-Au by molecular dynamics simulations"
    T. Pradhan et al., Tribo. Int. 189 (2023) 108966 | doi: 10.1016/j.triboint.2023.108966
  31. "Unveiling Mechanisms of Self-Healing in CoCrFeMnNi/HfNbTaTiZr Dual-Phase High-Entropy Alloys: A Molecular Dynamics Simulation Study"
    S.-P. Ju et al., Mater. Today Commun. 37 (2023) 107421 | doi: 10.1016/j.mtcomm.2023.107421
  32. "Transferable equivariant graph neural networks for the Hamiltonians of molecules and solids"
    Y. Zhong et al., npj Comput. Mater. 9 (2023) 182 | doi: 10.1038/s41524-023-01130-4
  33. "Resonance with surface waves induces forbidden velocity bands in dislocation glide"
    A.T. Duong and M.J. Demkowicz, J. Mech. Phys. Solids 180 (2023) 105422 | doi: 10.1016/j.jmps.2023.105422
  34. "Automated potential development workflow: Application to BaZrO3"
    A.I. Duff et al., Comput. Phys. Commun. 293 (2023) 108896 | doi: 10.1016/j.cpc.2023.108896
  35. "Machining mechanism of polycrystalline nickel-based alloy under ultrasonic elliptical vibration-assisted cutting"
    D.-K. Nguyen et al., Modell. Simul. Mater. Science Engin. 31 (2023) 085010 | doi: 10.1088/1361-651X/ad0316
  36. "Effects of nanotwins and stacking faults on the mechanical properties of CrCoNi medium-entropy alloys"
    J. Li et al., J. Mater. Res. Tech. 27 (2023) 3447-3458 | doi: 10.1016/j.jmrt.2023.10.144
  37. "Interaction of displacement cascades with {1012} and {1011} twin boundaries in zirconium: A molecular dynamic study"
    H. Wang et al., J. Mater. Res. Tech. 27 (2023) 3362-3373 | doi: 10.1016/j.jmrt.2023.10.155
  38. "Extra strengthening and Bauschinger effect in gradient high-entropy alloy: A molecular dynamics study"
    X. Du et al., Int. J. Mech. Sciences (accepted) 108829 | doi: 10.1016/j.ijmecsci.2023.108829
  39. "Micro Defects Evolution of Nickel-Based Single Crystal Superalloys during Shear Deformation: A Molecular Dynamics Study"
    P. Zhang et al., Acta Mater. Sinica (English Letters) 36 (2023) 2089-2099 | doi: 10.1007/s40195-023-01610-y
  40. "Viewpoint: Can symmetric tilt grain boundaries represent polycrystals?"
    M. Wagih and C. Schuh, Scripta Mater. 237 (2023) 115716 | doi: 10.1016/j.scriptamat.2023.115716
  41. "Microstructure evolution of AZ80 magnesium alloy in semi-solid compression by molecular dynamics simulation"
    X. Zhang et al., J. Mater. Res. Tech. 26 (2023) 4455-4468 | doi: 10.1016/j.jmrt.2023.08.209
  42. "Molecular dynamic simulation of kinetics of fcc–bcc heterointerface in phase transformation of iron and carbon steel"
    R. Isozaki and Y. Shibuta, ISIJ International (accepted) | doi: 10.2355/isijinternational.ISIJINT-2023-153
  43. "A combined kinetic Monte Carlo and phase field approach to model thermally activated dislocation motion"
    X. Peng et al., Comput. Mater. Science 230 (2023) 112490 | doi: 10.1016/j.commatsci.2023.112490
  44. "Molecular dynamics simulation of deposition of amorphous carbon films on sapphire surfaces"
    Q. Yue et al., Diamond Related Mater. 140 (2023) 110514 | doi: 10.1016/j.diamond.2023.110514
  45. "Anisotropic plasticity mechanisms in a newly synthesised High Entropy Alloy investigated using atomic simulations and nanoindentation experiments"
    P. Fan et al., J. Alloys Comp. 970 (2023) 172541 | doi: 10.1016/j.jallcom.2023.172541
  46. "Dislocation breakaway from nanoparticle array linear complexions: Plasticity mechanisms and strength scaling laws"
    D. Singh et al., Materialia 32 (2023) 101929 | doi: 10.1016/j.mtla.2023.101929
  47. "Temperature Effect on the Deformation Behavior in Nanocrystalline Magnesium under Compression: An Atomistic Study"
    C. Zhang et al., Crystals 13 (2023) 1479 | doi: 10.3390/cryst13101479
  48. "Coalescence of Al0.3CoCrFeNi polycrystalline high-entropy alloy in hot-pressed sintering: a molecular dynamics and phase-field study"
    Q. Guo et al., npj Comput. Mater. 9 (2023) 185 | doi: 10.1038/s41524-023-01139-9
  49. "Effect of temperature on the creep properties of polycrystalline Cu-Ni alloy: insight from molecular dynamics simulation"
    M.L. Ekardi et al., J. Phys.: Conf. Ser. 2596 (2023) 012010 | doi: 10.1088/1742-6596/2596/1/012010
  50. "An atomistic study on grain-size and temperature effects on mechanical properties of polycrystal CoCrFeNi high-entropy alloys"
    L. Xie et al., Mater. Today Commun. 37 (2023) 107264 | doi: 10.1016/j.mtcomm.2023.107264
  51. "Wetting and spreading behavior of AgCuTi on Ti substrate: A molecular dynamics study"
    Y. Li et al., J. Mater. Res. Tech. 27 (2023) 1808-1818 | doi: 10.1016/j.jmrt.2023.10.031
  52. "Novel green chemical mechanical polishing for an aluminum alloy and mechanisms interpreted by molecular dynamics simulations and measurements"
    Y. Li et al., Surf. Interf. 42 (2023) 103493 | doi: 10.1016/j.surfin.2023.103493
  53. "Descriptor for slip-induced crack blunting in refractory ceramics"
    D.G. Sangiovanni et al., Phys. Rev. Mater. 7 (2023) 103601 | doi: 10.1103/PhysRevMaterials.7.103601
  54. "Going against the Grain: Atomistic Modeling of Grain Boundaries in Solid Electrolytes for Solid-State Batteries"
    J.A. Dawson, ACS Mater. Au (accepted) | doi: 10.1021/acsmaterialsau.3c00064
  55. "Athermal evolution of nanocrystalline tungsten driven by irradiation"
    P.-W. Ma et al., J. Nucl. Mater. 586 (2023) 154662 | doi: 10.1016/j.jnucmat.2023.154662
  56. "Deep Learning in Classifying Structures for Crystal Systems of Pure Metals"
    Y. Li, Mater. Transac. 64 (2023) 2547-2552 | doi: 10.2320/matertrans.MT-M2022214
  57. "Investigation of chemical short range order strengthening in a model Fe–12Ni–18Cr (at. %) stainless steel alloy: A modeling and experimental study"
    K. Chu et al., Acta Mater. 261 (2023) 119385 | doi: 10.1016/j.actamat.2023.119385
  58. "Multi-scale simulation study on the evolution of stress waves and dislocations in Ti alloy during laser shock peening processing"
    C. Gu et al., Opt. Laser Tech. 165 (2023) 109629 | doi: 10.1016/j.optlastec.2023.109629
  59. "Effects of twin thicknesses on incoherent twin-boundary structures in face-centered cubic metals"
    Z. Wang et al., Science China Mater. 66 (2023) 4342-4348 | doi: 10.1007/s40843-023-2572-2
  60. "Atomic insights into the effect of rapid heating pretreatment on the mechanical stability of ⟨100⟩ symmetrical tilt GBs in nanocrystalline materials"
    Y. Wang et al., J. Appl. Phys. 134 (2023) 125104 | doi: 10.1063/5.0166511
  61. "Effect of stainless-steel substrate grain boundaries on surface graphene morphology and nano-friction behavior"
    W. Guo et al., Appl. Surf. Science 641 (2023) 158542 | doi: 10.1016/j.apsusc.2023.158542
  62. "Grain refinement induced by grain boundary segregation in FeNiCrCoCu high-entropy alloys using molecular dynamics simulation of nanoindentation"
    Y. Wang et al., Mater. Chem. Phys. 310 (2023) 128489 | doi: 10.1016/j.matchemphys.2023.128489
  63. "The tensile and compressive deformation mechanisms of the Cu/Al2Cu/Al-layered composites via molecular dynamics simulation"
    X. Bian et al., Appl. Phys. A 129 (2023) 719 | doi: 10.1007/s00339-023-07002-4
  64. "Study on Cu6Sn5 morphology and grain orientation transition at the interface of (111) nt-Cu and liquid Sn"
    Z. Sa et al., J. Mater. Res. Tech. 26 (2023) 9112-9126 | doi: 10.1016/j.jmrt.2023.09.189
  65. "Atomic insight into mechanical behavior of AuPt alloys"
    G. Luo et al., Int. J. Mech. Sciences (accepted) | doi: 10.1016/j.ijmecsci.2023.108778
  66. "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
  67. "High-temperature active oxidation of nanocrystalline silicon-carbide: A reactive force-field molecular dynamics study"
    L. Capaldi and F. Sansoz, Acta Mater. 258 (2023) 119229 | doi: 10.1016/j.actamat.2023.119229
  68. "Study on incompatible mechanism in chemical mechanical polishing of the novel graphite/diamond composite"
    J. Chen et al., Appl. Surf. Science 641 (2023) 158500 | doi: 10.1016/j.apsusc.2023.158500
  69. "Atomic-Level Description of Chemical, Topological, and Surface Morphology Aspects of Oxide Film Grown on Polycrystalline Aluminum during Thermal Oxidation—Reactive Molecular Dynamics Simulations"
    M.E. Trybula et al., Crystals 13 (2023) 1376 | doi: 10.3390/cryst13091376
  70. "Revealing the influence of solute segregation on the stability and strength of Cu Σ11 [110](113) symmetrical tilt grain boundary via first-principles investigation"
    J. Zhang et al., J. Mater. Res. Tech. 26 (2023) 7072-7081 | doi: 10.1016/j.jmrt.2023.09.078
  71. "Sintering mechanism of CaO during carbonation reaction in the presence of water vapor"
    C. Li et al., Proc. Combust. Inst. 39 (2023) 4467-4476 | doi: 10.1016/j.proci.2022.08.040
  72. "Investigation of Li2O/Na2O effect on the atomic structure and mechanical properties of aluminosilicate glasses using molecular dynamics simulation, Raman and NMR spectroscopy"
    Y. Yang et al., J. Non-Cryst. Sol. 617 (2023) 122504 | doi: 10.1016/j.jnoncrysol.2023.122504
  73. "Atomistic insights into the synergistic effect of nanotwins and nano-precipitates on the mechanical behavior of superalloys"
    L. Jiao et al., Mech. Mater. 186 (2023) 104806 | doi: 10.1016/j.mechmat.2023.104806
  74. "Molecular Dynamics Simulation Study on Impact of Interface Chemistry on Pearlite Mechanical Response"
    H. Zhang et al., Mater. Res. Express 10 (2023) | doi: 10.1088/2053-1591/acf916
  75. "Effects of bismuth nanoparticles on the nano-cutting properties of single-crystal iron materials: a molecular dynamics study"
    M. Wang et al., Appl. Phys. A 129 (2023) 687 | doi: 10.1007/s00339-023-06953-y
  76. "Molecular dynamics simulations of ultrasonic vibration-assisted grinding of polycrystalline iron: Nanoscale plastic deformation mechanism and microstructural evolution"
    W. Huang et al., Appl. Surf. Science 640 (2023) 158440 | doi: 10.1016/j.apsusc.2023.158440
  77. "Numerical simulation of nano-cutting behaviors for polycrystalline γ-TiAl alloy: The effect of grain sizes"
    H. Cao et al., J. Manufac. Processes 102 (2023) 169-181 | doi: 10.1016/j.jmapro.2023.07.047
  78. "Coarse-grained molecular dynamic model for metallic materials"
    L. Chalamet et al., Comput. Mater. Science 228 (2023) 112306 | doi: 10.1016/j.commatsci.2023.112306
  79. "Surface morphology of polycrystalline cerium–lanthanum alloy in nanometric cutting"
    J. Ren et al., J. Manufac. Processes 101 (2023) 714-720 | doi: 10.1016/j.jmapro.2023.05.111
  80. "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
  81. "Spin-lattice-dynamics analysis of magnetic properties of iron under compression"
    G. dos Santos et al., Scientific Reports 13 (2023) 14282 | doi: 10.1038/s41598-023-41499-2
  82. "Subgrain-assisted spontaneous grain refinement in rapid solidification of undercooled melts"
    J. Zhang et al., J. Mater. Science Tech. 174 (2023) 234-248 | doi: 10.1016/j.jmst.2023.06.068
  83. "Mechanical behavior of reactive Al/Ni multilayers by molecular dynamics simulations"
    F. Schwarz and R. Spolenak, Phys. Rev. Materials 7 (2023) 083603 | doi: 10.1103/PhysRevMaterials.7.083603
  84. "polyGraft 1.0: A program for molecular structure and topology generation of polymer-grafted hybrid nanostructures"
    G. Chen, J. Comput. Chem. 44 (2023) 2230-2239 | doi: 10.1002/jcc.27206
  85. "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
  86. "Predicting elastic and plastic properties of small iron polycrystals by machine learning"
    M. Mińkowski and L. Laurson, Scientific Reports 13 (2023) 13977 | doi: 10.1038/s41598-023-40974-0
  87. "Atomistic simulations of pipe diffusion in bcc transition metals"
    S. Starikov et al., Acta Mater. 260 (2023) 119294 | doi: 10.1016/j.actamat.2023.119294
  88. "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
  89. "Electro-plastic effect on the indentation of calcium fluoride"
    J. Zhan et al., Int. J. Mech. Sciences (accepted) | doi: 10.1016/j.ijmecsci.2023.108693
  90. "Atomic simulation for the effect of nano-cutting parameters on the 3D surface morphology of polycrystalline γ-TiAl alloy"
    Z. Guo et al., Modell. Simul. Mater. Science Engin. 31 (2023) 065017 | doi: 10.1088/1361-651X/acea3c
  91. "Grain size and scratching depth dependent tribological characteristics of CrCoNi medium-entropy alloy coatings: A molecular dynamics simulation study"
    J. Zhang et al., Surf. Coat. Tech. 468 (2023) 129772 | doi: 10.1016/j.surfcoat.2023.129772
  92. "Effect of periodic image interactions on kink pair activation of screw dislocation"
    F. Shuang et al., Comput. Mater. Science 228 (2023) 112369 | doi: 10.1016/j.commatsci.2023.112369
  93. "The spectrum of interstitial solute energies in polycrystals"
    M. Wagih and C.A. Schuh, Scripta Mater. 235 (2023) 115631 | doi: 10.1016/j.scriptamat.2023.115631
  94. "Effect of Loading Method, Temperature, and Twin Defects on the Mechanical Behavior of Nanocrystalline Ni with Gradient Spacing Twin Structure"
    W. Zhang et al., Cryst. Growth Des. 23 (2023) 6136-6148 | doi: 10.1021/acs.cgd.3c00640
  95. "Temperature, Strain Rate, and Point Vacancy Dependent Anisotropic Mechanical Behaviors of Titanium Carbide (Ti3C2) MXene: A Molecular Dynamics Study"
    Md.M. Hassan et al., Mater. Today Commun. 37 (2023) 106898 | doi: 10.1016/j.mtcomm.2023.106898
  96. "Effect of Al2Cu constituent layer thickness discrepancy on the tensile mechanical behavior of Cu/Al2Cu/Al layered composites: a molecular dynamics simulation"
    X. Bian et al., Nanotech. 34 (2023) 445702 | doi: 10.1088/1361-6528/acec7c
  97. "Energetic contributions to deformation twinning in magnesium"
    E. Kapan et al., Modell. Simul. Mater. Science Engin. 31 (2023) 075002 | doi: 10.1088/1361-651X/acec8c
  98. "Molecular Dynamic Simulation and Experiment Validation on the Diffusion Behavior of Diffusion Welded Fe-Ti by Hot Isostatic Pressing Process"
    C. Gu et al., Materials 16 (2023) 5626 | doi: 10.3390/ma16165626
  99. "Stacking fault-induced strengthening mechanism in thermoelectric semiconductor Bi2Te3"
    X. Huang et al., Matter 6 (2023) 3087-3098 | doi: 10.1016/j.matt.2023.07.017
  100. "Effect of Pyramidal Plane II Twinning in Tensile Deformation on Tensile–Compression Yield Asymmetry in Three Orthogonal Directions of Mg Alloy"
    X. Zhang et al., J. Mater. Engin. Perf. (accepted) | doi: 10.1007/s11665-023-08588-9
  101. "Dissociation of edge and screw pyramidal I and II dislocations in magnesium"
    Y. Yang et al., J. Magn. Alloys (accepted) | doi: 10.1016/j.jma.2023.06.013
  102. "The incorporation of xenon at point defects and bubbles in uranium mononitride"
    J.J. Li et al., J. Nucl.. Mater. 586 (2023) 154656 | doi: 10.1016/j.jnucmat.2023.154656
  103. "Unveiling the multifaceted properties of a 3d covalent-organic framework: Pressure-induced phase transition, negative linear compressibility and auxeticity"
    M. Erkartal, Comput. Mater. Science 227 (2023) 112275 | doi: 10.1016/j.commatsci.2023.112275
  104. "First-principles investigation on diffusion in stishovite and CaCl2-type silica: Implication for MORB viscosity in the lower mantle"
    B. Chen et al., Earth Planet. Science Lett. 615 (2023) 118198 | doi: 10.1016/j.epsl.2023.118198
  105. "The Shock-Induced Deformation and Spallation Failure of Bicrystal Copper with a Nanoscale Helium Bubble via Molecular Dynamics Simulations"
    Q. Zhu et al., Nanomater. 13 (2023) 2308 | doi: 10.3390/nano13162308
  106. "Mechanism of nanoscale helium bubbles influencing dynamic tensile response of polycrystalline copper"
    Q. Zhu et al., Mech. Mater. 185 (2023) 104755 | doi: 10.1016/j.mechmat.2023.104755
  107. "The growth and coalescence of helium bubbles in bicrystal copper under tension"
    Q. Zhu et al., J. Nucl. Mater. 582 (2023) 154489 | doi: 10.1016/j.jnucmat.2023.154489
  108. "An interatomic potential for ternary NiTiHf shape memory alloys based on modified embedded atom method"
    S. Ataollahi et al., Comput. Mater. Science 227 (2023) 112278 | doi: 10.1016/j.commatsci.2023.112278
  109. "Effect of Room-Temperature Pre-rolling and Pre-cryorolling on Natural Aging and Bake Hardening Response of an Al–Mg–Si Alloy"
    J. Xing et al., Metall. Mater. Trans. A 54 (2023) 3709-3732 | doi: 10.1007/s11661-023-07150-5
  110. "Surface morphology of polycrystalline cerium–lanthanum alloy in nanometric cutting"
    J. Ren et al., J. Manufac. Processes 101 (2023) 714-720 | doi: 10.1016/j.jmapro.2023.05.111
  111. "Study on micro-crack propagation mechanism in different positions of single crystal titanium at nanoscale"
    J. Li et al., Materials Today Commun. 36 (2023) 106562 | doi: 10.1016/j.mtcomm.2023.106562
  112. "Unraveling the relationship between the structural features and solubility properties in Sr-containing bioactive glasses"
    R. Zhao et al., Ceram. Internat. (accepted) | doi: 10.1016/j.ceramint.2023.07.240
  113. "Atomistic simulation of hardening in bcc iron-based alloys caused by nanoprecipitates"
    A.V. Karavaev et al., Comput. Mater. Science 229 (2023) | doi: 10.1016/j.commatsci.2023.112383
  114. "Graphene enables equiatomic FeNiCrCoCu high-entropy alloy with improved TWIP and TRIP effects under shock compression"
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