Atomsk

La navaja suiza de las simulaciones atómicas

Citas

Si utiliza Atomsk en su trabajo, la cita del siguiente artículo será muy apreciada:


Atomsk fue citado en los siguientes trabajos publicados. ¡Muchas gracias a sus autores!

    2024
  1. "Shear response of ⟨110⟩ asymmetric tilt grain boundaries in BCC-Fe"
    J. Veerababu et al., Phys. Scripta 99 (2024) 085973 | doi: 10.1088/1402-4896/ad621a
  2. "Effects of cutting tool geometry on material removal of a gradient nanograined CoCrNi medium entropy alloy"
    Y.-S. Lu et al., Beilstein J. Nanotechnol. 15 (2024) 925-940 | doi: 10.3762/bjnano.15.76
  3. "Structure and exfoliation mechanism of two-dimensional boron nanosheets"
    J.-Y. Chung et al., Nature Commun. 15 (2024) 6122 | doi: 10.1038/s41467-024-49974-8
  4. "Investigation on interfacial compound growth kinetics in Sn-0.7Cu/Cu solder joint and mechanism analysis: Experiments and molecular dynamics simulations"
    T. Ma et al., Mater. Charac. 215 (2024) 114193 | doi: 10.1016/j.matchar.2024.114193
  5. "Orientation-dependent tribological behavior of the graphite–diamond composite"
    T. Jin et al., Tribol. Int. 199 (2024) 110013 | doi: 10.1016/j.triboint.2024.110013
  6. "The Li2Ti6O13 and Li2Zr6O13 composite as a high-performance anode for alkali-ion batteries: a molecular dynamics study"
    Y.A. Zulueta et al., RSC Adv. 14 (2024) 22974-22980 | doi: 10.1039/D4RA02998D
  7. "Phase transformation behavior and mechanical properties of NiTi shape memory alloys fabricated by directed laser deposition"
    G. Ma et al., Mater. Science Engin. A 908 (2024) 146693 | doi: 10.1016/j.msea.2024.146693
  8. "Score-based denoising for atomic structure identification"
    T. Hsu et al., npj Comput. Mater. 10 (2024) 155 | doi: 10.1038/s41524-024-01337-z
  9. "Role of dislocations on martensitic transformation temperatures and microstructure: A molecular dynamics study"
    D. Farache et al., J. Appl. Phys. 136 (2024) 035106 | doi: 10.1063/5.0208406
  10. "Development of embedded-atom method (EAM) potential for Palladium–Barium alloy"
    S. Pal and S. Mukhopadhyay, Molec. Simu. (accepted) | doi: 10.1080/08927022.2024.2376327
  11. "Simulation of structure of special tilt boundary and grainboundary self-diffusion in Ti"
    V. Popov et al., Diff. Fund. 34 (2024) 1152 | doi: 10.62721/diffusion-fundamentals.34.1152
  12. "What are the digital skills sought by scientific employers in potential candidates?"
    G. Zhang et al., J. High. Educ. Policy M. (accepted) | doi: 10.1080/1360080X.2024.2374392
  13. "Study of the microstructure, corrosion behavior, and mechanical properties of AZ91D composites containing various graphene-based nanomaterials"
    L. Li et al., Mater. Science Engin. A (accepted) 146939 | doi: 10.1016/j.msea.2024.146939
  14. "Understanding the Role of ½⟨110⟩ Dislocations in Deformation Mechanisms of Single-Crystal High-Entropy Carbide Ceramics from Machine Learning Force Field Simulations"
    J. Liu et al., ACS Appl. Eng. Mater. (accepted) | doi: 10.1021/acsaenm.4c00280
  15. "Influence of interface on deformation compatibility of a heterogeneous Cu/Al nanoscale multilayer"
    X. Liu et al., Mater. Today Commun. 40 (2024) 109510 | doi: 10.1016/j.mtcomm.2024.109510
  16. "Five-fold twin formation in face-centered cubic metals under impact loading"
    J. Li et al., Materialia 36 (2024) 102156 | doi: 10.1016/j.mtla.2024.102156
  17. "Multiscale simulation combined with experimental investigation on residual stress and microstructure of TC6 titanium alloy treated by laser shock peening"
    J. Li et al., Mater. Today Commun. 40 (2024) 109484 | doi: 10.1016/j.mtcomm.2024.109484
  18. "Effects of bismuth particle inclusions on surface and internal wear of single crystal iron: A molecular dynamics simulation"
    G. Li et al., Micro Nanostructures 193 (2024) 207912 | doi: 10.1016/j.micrna.2024.207912
  19. "Uniaxial tensile behaviors and Hall-Petch relationship of polycrystalline 316LN stainless steel via molecular dynamics simulation"
    C. Hong et al., Comput. Mater. Science 244 (2024) 113195 | doi: 10.1016/j.commatsci.2024.113195
  20. "Pt Schwarz crystals stabilized by minimal-surface grain boundaries and twins at the grain size limit"
    H.L. Fu et al., Acta Mater. 276 (2024) 120007 | doi: 10.1016/j.actamat.2024.120007
  21. "New tetragonal phases of titanium under shock loading - Predicted by molecular dynamics and ab initio calculations"
    D.-D. Jiang and J.-Li Shao, Scripta Mater. 251 (2024) 116223 | doi: 10.1016/j.scriptamat.2024.116223
  22. "Edge Dislocation and Grain Boundaries Effects on the Mechanical Properties in NiCoAl Medium Entropy Alloy"
    M. Khan and Md. L. Ali, Adv. Engin. Mater. (accepted) 2400614 | doi: 10.1002/adem.202400614
  23. "On the Temperature and Composition Dependence of Non-basal Stacking Faults in C14 Laves Phases"
    Z. Xie et al., Adv. Engin. Mater. (accepted) 2400885 | doi: 10.1002/adem.202400885
  24. "Pseudo-twin boundary improves flow stress and cyclic stability of TiAl single crystal"
    Y. Zhu et al., Int. J. Plast. 179 (2024) 104021 | doi: 10.1016/j.ijplas.2024.104021
  25. "Insights on the microstructural correlations of density and specific heat capacity for halophilic fission products and NaF-BeF2 molten mixtures"
    X. Li et al., J. Nucl. Mater. 599 (2024) 155201 | doi: 10.1016/j.jnucmat.2024.155201
  26. "Achieving better strength-toughness synergy in heterogeneous Cu/Ni/graphene composites: A molecular dynamics simulation"
    S. Zhang et al., Mater. Today Commun. 40 (2024) 109757 | doi: 10.1016/j.mtcomm.2024.109757
  27. "Theoretical Approaches for the Determination of Defect and Transport Properties in Selected Battery Materials"
    Y.A. Zulueta et al., in Computational design of battery materials, Springer (2024) 293-328 | doi: 10.1007/978-3-031-47303-6_11
  28. "Jumping behavior of water nanodroplets on a superhydrophobic surface in high Ohnesorge number (Oh) regime"
    E.H. Shopnil et al., Comput. Fluids 280 (2024) 106344 | doi: 10.1016/j.compfluid.2024.106344
  29. "Unraveling dislocation-based strengthening in refractory multi-principal element alloys"
    T. Wang et al., npj Comput. Mater. 10 (2024) 143 | doi: 10.1038/s41524-024-01330-6
  30. "Crack growth and fracture mechanics of CuCrFeNiCo high-entropy alloy during tension testing"
    A.-S. Tran et al., Phys. Scr. 99 (2024) 085401 | doi: 10.1088/1402-4896/ad5a48
  31. "Microstructure-dependent nanoindentation deformation behavior of TaTiZrV refractory high-entropy alloy"
    D.-Q. Doan, Int. J. Refract. Metals Hard Metals 123 (2024) 106769 | doi: 10.1016/j.ijrmhm.2024.106769
  32. "A machine learning framework for the prediction of grain boundary segregation in chemically complex environments"
    D. Aksoy et al., Modell. Simul. Mater. Science Engin. 32 (2024) 065011 | doi: 10.1088/1361-651X/ad585f
  33. "Theoretical Understanding of Electromigration-Related Surface Diffusion and Current-Induced Force in Ag–Pd Systems"
    Y. Zhang et al., ACS Omega (accepted) | doi: 10.1021/acsomega.4c02663
  34. "Influence of chemical composition on the room temperature plasticity of C15 Ca-Al-Mg Laves phases"
    M. Freund et al., Acta Mater. (accepted) 120124 | doi: 10.1016/j.actamat.2024.120124
  35. "Probing phase transformation and dislocation evolution in high-entropy alloy under cyclic loadings"
    J. Zhang et al., Mater. Lett. 371 (2024) 136940 | doi: 10.1016/j.matlet.2024.136940
  36. "Atomic-scale three-dimensional irradiation-induced defect kinetics models for bcc Fe-based alloys"
    P.-D. Lin et al., J. Mater. Res. Tech. 31 (2024) 1250-1257 | doi: 10.1016/j.jmrt.2024.06.122
  37. "Transforming an Ionic Conductor into an Electronic Conductor via Crystallization: In Situ Evolution of Transference Numbers and Structure in (La,Sr)(Ga,Fe)O3-x Perovskite Thin Films"
    H.B. Buckner et al., Adv. Func. Mater. (accepted) 2401854 | doi: 10.1002/adfm.202401854
  38. "Cooperative dislocations for pressure-dependent sequential deformation of multi-principal element alloys under shock loading"
    F. Zhang et al., Acta Mater. (accepted) 120150 | doi: 10.1016/j.actamat.2024.120150
  39. "A first step towards understanding thermomechanical behavior of the Nb-Cr system through interatomic potential development and molecular dynamics simulations"
    L.A. Heaton and A.J. Samin, Scientific Reports 14 (2024) 14408 | doi: 10.1038/s41598-024-64920-w
  40. "Atomic simulation study on the effect of defects on nano-cutting mechanism of single crystal copper"
    X. Jing et al., Mater. Today Commun. 40 (2024) 109466 | doi: 10.1016/j.mtcomm.2024.109466
  41. "Solute clustering and its role in a titanium alloy made by laser powder bed fusion"
    X. Chen et al., Additive Manufact. 87 (2024) 104243 | doi: 10.1016/j.addma.2024.104243
  42. "Influence of temperature, stress, and grain size on behavior of nano-polycrystalline niobium"
    Y-P. Yan et al., Chinese Phys. B 33 (2024) 076201 | doi: 10.1088/1674-1056/ad3b83
  43. "Computational chemistry analysis of passive layer formation and breakdown mechanisms in ferritic stainless steels"
    V. Jamebozorgi et al., Corrosion Science 235 (2024) 112194 | doi: 10.1016/j.corsci.2024.112194
  44. "Effect of bismuth on the mechanical properties and microstructure evolution of iron matrix during drawing: a molecular dynamics study"
    Z. Chen et al., Phys. Scr. 99 (2024) 075408 | doi: 10.1088/1402-4896/ad5513
  45. "Molecular dynamics simulation of the effect of tool parameters on nano-cutting of polycrystalline γ-TiAl alloys"
    Y. Zhou et al., Modell. Simul. Mater. Science Engin. 32 (2024) 065005 | doi: 10.1088/1361-651X/ad54e3
  46. "Physical mechanisms for dependence of temperature-induced phase transition and shape memory effect on grain size in nanocrystalline NiTi shape memory alloys"
    Y. Zhang et al., J. Alloys Comp. 1002 (2024) 175225 | doi: 10.1016/j.jallcom.2024.175225
  47. "Molecular Dynamics Simulation of the Mechanical Behavior of Duplex Stainless Steels with Nanotwin Structure"
    L. Li et al., J. Mater. Engin. Perf. (accepted) | doi: 10.1007/s11665-024-09400-y
  48. "Two-phase model for inverse Hall–Petch effect in nanocrystalline thin film: Atomistic simulation study"
    A. Yadav et al., Acta Mater. 276 (2024) 120084 | doi: 10.1016/j.actamat.2024.120084
  49. "Molecular dynamics simulations of polycrystalline titanium mechanical properties: Grain size effect"
    Y. Niu et al., Mater. Today Commun. 40 (2024) 109558 | doi: 10.1016/j.mtcomm.2024.109558
  50. "Ab Initio-Based Bond Order Potential for Arsenene Polymorphs Developed via Hierarchical Reinforcement Learning"
    A. Koneru et al., J. Phys. Chem. A (accepted) | doi: 10.1021/acs.jpca.4c01040
  51. "Nanoscale spatially resolved thermal transport in nanocrystalline 3C-SiC"
    O. Farzadian et al., Appl. Phys. Lett. 124 (2024) 232203 | doi: 10.1063/5.0206189
  52. "Molecular dynamics simulation of CoCrFeMnNi with twin boundaries under high-speed impact"
    X. Yao and H. Li, J. Phys.: Conf. Series 2730 (2024) 012024 | doi: 10.1088/1742-6596/2730/1/012024
  53. "Graph-theoretical chirality measure and chirality–property relations for chemical structures with multiscale mirror asymmetries"
    M. Cha et al., Chirality 36 (2024) e23678 | doi: 10.1002/chir.23678
  54. "Effects of {1012} Twin Boundary on Nanotribological Behavior of Pure Mg: A Molecular Dynamics Simulation"
    B.-J. Lv et al., J. Mater. Engin. Perf. (accepted) | doi: 10.1007/s11665-024-09567-4
  55. "Effect of Grain Size on Nanometric Cutting of Polycrystalline Silicon via Molecular Dynamics Simulation"
    W. Guo et al., Micromachines 15 (2024) 767 | doi: 10.3390/mi15060767
  56. "Theoretical study on the influence of grain size on the strength, toughness and plastic deformation mechanism of pre-cracked polycrystalline high entropy alloys"
    Y. Kang et al., Mater. Today Commun. 39 (2024) 109081 | doi: 10.1016/j.mtcomm.2024.109081
  57. "Interactions between irradiation-induced defects and dislocations in concentrated solid solution alloys"
    Y. Xiong et al., J. Nucl. Mater. 597 (2024) 155144 | doi: 10.1016/j.jnucmat.2024.155144
  58. "Advanced mechanical properties obtained via transition metals doped in CrFeNi medium entropy alloy"
    Md. N. Mahamud Nobin et al., J. Mater. Res. Tech. 30 (2024) 5334-5345 | doi: 10.1016/j.jmrt.2024.04.247
  59. "Twinning dominated microstructural evolution in tungsten under impact loading"
    J. Li et al., J. Mater. Science 59 (2024) 11143-11156 | doi: 10.1007/s10853-024-09823-x
  60. "The Modulation of Compositional Heterogeneity for Controlling Shear Banding in Co-P Metallic Nanoglasses"
    T. Li et al., Nanomaterials 14 (2024) 993 | doi: 10.3390/nano14120993
  61. "Directional solidification of Cu with dispersed W nanoparticles: A molecular dynamics study in the context of additive manufacturing"
    Q. Bizot et al., Materialia 36 (2024) 102140 | doi: 10.1016/j.mtla.2024.102140
  62. "Mechanical Properties and Microstructure of the Shear Band Formed at Cryogenic Temperature in the NiCrFe Medium-Entropy Alloy"
    R. Liu et al., Acta Metall. Sinica (accepted) | doi: 10.1007/s40195-024-01720-1
  63. "Microstructural mechanisms endowing high strength-ductility synergy in CoCrNi medium entropy alloy prepared by laser powder bed fusion"
    M. Yi et al., Add. Manufac. 87 (2024) 104229 | doi: 10.1016/j.addma.2024.104229
  64. "Machining mechanism and residual stress of AlCuCrFeNi alloy"
    H.-G. Nguyen and T.-H. Fang, Int. J. Mech. Sciences 277 (2024) 109429 | doi: 10.1016/j.ijmecsci.2024.109429
  65. "Ce-doped copper oxide and copper vanadate Cu3VO4 hybrid for boosting nitrate electroreduction to ammonia"
    M. Zhang et al., J. Colloid Interf. Science 671 (2024) 258-269 | doi: 10.1016/j.jcis.2024.05.189
  66. "Effect of vacancies and void defects on the structural and mechanical behavior of tungsten under harsh temperature and pressure conditions"
    A. Alivaliollahi et al., Nanosci. Tech. Int. J. 15 (2024) 29-50 | doi: 10.1615/NanoSciTechnolIntJ.2023050784
  67. "Investigation of thermodynamic properties and anisotropic factors of perfect and defective tungsten through correlation with elastic constants: a molecular dynamics study"
    A. Alivaliollahi et al., Nanosci. Tech. Int. J. 15 (2024) 1-19 | doi: 10.1615/NanoSciTechnolIntJ.2023048416
  68. "Efficiency, accuracy, and transferability of machine learning potentials: Application to dislocations and cracks in iron"
    L. Zhang et al., Acta Mater. 270 (2024) 119788 | doi: 10.1016/j.actamat.2024.119788
  69. "Rapid Prediction of Grain Boundary Network Evolution in Nanomaterials Utilizing a Generative Machine Learning Approach"
    Y. Wang et al., Extr. Mech. Lett. 70 (2024) 102172 | doi: 10.1016/j.eml.2024.102172
  70. "Theoretical Prediction of Strengthening in Nanocrystalline Cu with Multi-Element Grain Boundary Segregation Decoration"
    F. Guo et al., Materials 17 (2024) 2504 | doi: 10.3390/ma17112504
  71. "Theoretical Study of the Structural and Energetic Properties of Ce1–xZrxO2 Nanoparticles via Molecular Dynamics Simulations"
    M.N. Santos et al., Phys. Chem. Chem. Phys. 26 (2024) 17838-17853 | doi: 10.1039/D4CP01137F
  72. "Formation mechanism of three-fold {1011}α twins during β to α phase transformation in titanium"
    Z.C. Meng et al., J. Mater. Science Tech. 194 (2024) 138-141 | doi: 10.1016/j.jmst.2024.01.027
  73. "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
  74. "Effect of short-range order on lattice distortion, stacking fault energy, and mechanical performance of Co-Fe-Ni-Ti high-entropy alloy at finite temperature"
    X. Zhou et al., Phys. Rev. Mater. 8 (2024) 053602 | doi: 10.1103/PhysRevMaterials.8.053602
  75. "Enhancing surface strength of tungsten by gradient nano-grained structure"
    D. Xu et al., J. Appl. Phys. 135 (2024) 195101 | doi: 10.1063/5.0191162
  76. "Deep-learning interatomic potential for iron at extreme conditions"
    Z. Li and S. Scandolo, Phys. Rev. B 109 (2024) 184108 | doi: 10.1103/PhysRevB.109.184108
  77. "Crystal-Inspired Cellular Metamaterials and Triply Periodic Minimal Surfaces"
    M. Arsentev et al., Biomimetics 9 (2024) 285 | doi: 10.3390/biomimetics9050285
  78. "Atomistic to continuum mechanics description of crystal defects with dislocation density fields: Application to dislocations and grain boundaries"
    H. Kharouji et al., Int. J. Plast. 177 (2024) 103990 | doi: 10.1016/j.ijplas.2024.103990
  79. "Experimental and modeling study on irradiation effect of A508-III steel"
    P.-D. Lin et al., Int. J. Mech. Sciences 277 (2024) 109371 | doi: 10.1016/j.ijmecsci.2024.109371
  80. "Effect of three-stage heat treatment on mechanical properties and micro-deformation mechanism of TC4 titanium alloy welded joint"
    R. Su et al., J. Mater. Res. Tech. 30 (2024) 6753-6770 | doi: 10.1016/j.jmrt.2024.05.060
  81. "Effect of temperature on the mechanical properties of aluminum polycrystal using molecular dynamics simulation"
    P. Lin et al., Case Studies Therm. Engin. 59 (2024) 104480 | doi: 10.1016/j.csite.2024.104480
  82. "Transformation of Coherent Twin Boundary into Basal-Prismatic Boundary in HCP-Ti: A Molecular Dynamics Study"
    T. Sun et al., Metals 17 (2024) 2165 | doi: 10.3390/ma17092165
  83. "Molecular dynamics simulation of dry sliding between non-Gaussian copper rough surfaces"
    S. Kumar et al., Appl. Surf. Science 664 (2024) 160220 | doi: 10.1016/j.apsusc.2024.160220
  84. "Simultaneously improving thermal conductivity, mechanical properties and metal fluidity through Cu alloying in Mg-Zn-based alloys"
    Y. Zhang et al., J. Magn. Alloys (accepted) | doi: 10.1016/j.jma.2024.04.014
  85. "Atomistic simulations of the interaction of edge dislocations with β-Nb precipitates in Zr-Nb alloys"
    J. Lin et al., J. Phys. D: Appl. Phys. 57 (2024) 305502 | doi: 10.1088/1361-6463/ad4161
  86. "Grain boundary effects on chemical disorders and amorphization-induced swelling in 3C-SiC under high-temperature irradiation: From atomic simulation insight"
    Z. Cai et al., J. Europ. Ceram. Soc. 44 (2024) 6911-6925 | doi: 10.1016/j.jeurceramsoc.2024.04.064
  87. "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
  88. "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
  89. "Study of the mechanism of the strength-ductility synergy of α-Ti at cryogenic temperature via experiment and atomistic simulation"
    H. Yang et al., Int. J. Plast. 177 (2024) 103971 | doi: 10.1016/j.ijplas.2024.103971
  90. "Abnormal grain growth of (110)-oriented perpendicular nanotwinned copper into ultra-large grains at low temperatures"
    P. Chen et al., J. Mater. Science Tech. 203 (2024) 61-65 | doi: 10.1016/j.jmst.2024.03.036
  91. "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
  92. "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
  93. "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
  94. "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
  95. "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
  96. "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
  97. "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
  98. "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
  99. "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
  100. "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
  101. "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
  102. "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
  103. "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
  104. "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
  105. "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
  106. "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
  107. "Nickel Nanoparticles: Insights into Sintering Dynamics"
    L. Bajtošová et al., Crystals 14 (2024) 321 | doi: 10.3390/cryst14040321
  108. "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
  109. "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
  110. "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
  111. "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
  112. "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
  113. "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
  114. "Mechanical Properties of Single and Polycrystalline Solids from Machine Learning"
    F.N. Jalolov et al., Adv. Theory Simul. 7 (2024) 2301171 | doi: 10.1002/adts.202301171
  115. "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
  116. "A multiscale study on the microstructure and hardening models of the irradiation defects on reactor pressure vessel steels: Modelling and experiment"
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