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                             40 results found
no title author magazine year volume issue page(s) type
1 An insight on the origin of half-metallicity of new equiatomic quaternary Heusler alloys PtRuTiZ (Z = Al/Si): GGA and GGA + U approaches Labar, Kunal
220 C p.
 article
2 Application of machine learning in the design and optimization of bimodal structural materials Wang, Dong-Ming
220 C p.
 article
3 Atomistic model of an oxide film in contact with a liquid metal coolant: Defects concentrations and chemical potentials of dissolved Fe–O Fominykh, Nikita A.
220 C p.
 article
4 A two-step data augmentation method based on generative adversarial network for hardness prediction of high entropy alloy Yang, Zhiyuan
220 C p.
 article
5 Automated determination of grain boundary energy and potential-dependence using the OpenKIM framework Waters, Brendon
220 C p.
 article
6 Coherency loss marking the onset of degradation in high temperature creep of superalloys: Phase-field simulation coupled to strain gradient crystal plasticity Ali, Muhammad Adil
220 C p.
 article
7 Corrigendum to “Fundamental analysis of deformation behavior in core–shell heterostructured materials” [Comput. Mater. Sci. 215 (2022) 111818] Kim, Yongju
220 C p.
 article
8 Ductility reduction upon cobalt substitution in B2 NiTi John, Rita
220 C p.
 article
9 Editorial Board
220 C p.
 article
10 Effects of chemical complexity on the initial oxidation resistance of HfC1− x N x ceramics Yan, Daming
220 C p.
 article
11 Electronic origin of Suzuki segregation of transition metal elements in face-centered cubic Co and Ni alloys Wen, Dongsheng
220 C p.
 article
12 Electronic structure analysis of light-element-doped anatase TiO 2 using all-electron GW approach Ishikawa, Takashi
220 C p.
 article
13 Enhanced reversible hydrogen storage performance of Mg-decorated g-C2N: First principles calculations Dou, Xilong
220 C p.
 article
14 Enhancing property prediction and process optimization in building materials through machine learning: A review Stergiou, Konstantinos
220 C p.
 article
15 First investigation of the effect of strontium oxide on the structure of phosphate glasses using molecular dynamics simulations Bouabdalli, El Mahdi
220 C p.
 article
16 First principles characterization of C-doped magnetically-enhanced D022-Mn 3 Ga surfaces Ruvalcaba, Ricardo
220 C p.
 article
17 Formation and growth kinetics of the initial amorphous oxide film on the aluminum melt: A ReaxFF molecular dynamics simulation Qian, Junping
220 C p.
 article
18 High Curie temperature Chern insulator and spin-gapless semiconducting ferromagnetic h-CrC monolayer: A first-principles study Liu, Ze
220 C p.
 article
19 Improving lithium polysulfides adsorption by oxygen-vacancy defects: By first-principles calculation Zhang, Qi
220 C p.
 article
20 Interfacial fracture analysis for heterogeneous materials based on phase field model Yuan, Jihai
220 C p.
 article
21 Intrinsic thermoelectric properties in biphenylene nanoribbons and effect of lattice defects Xie, Zhong-Xiang
220 C p.
 article
22 Machine learning mechanical properties of defect-engineered hexagonal boron nitride Shen, Yi
220 C p.
 article
23 Machine learning method to predict the interlayer sliding energy barrier of polarized MoS2 layers Zhao, Xinpeng
220 C p.
 article
24 Molecular dynamics simulation of Au-Ag nanowires under tensile loading Liao, Yi
220 C p.
 article
25 Nickel-based polycrystalline superalloy composition design framework based on non-dominated sorting genetic algorithm II Liu, Yaxi
220 C p.
 article
26 Optoelectronic properties of the two-dimensional h-BN/h-AlN superlattice by first-principles calculation Xu, Weiwei
220 C p.
 article
27 Phase-field simulation for voltage profile of L i x S n nanoparticle during lithiation/delithiation Huang, Qi
220 C p.
 article
28 Phase-field simulation of martensitic transformation with different conditions in inhomogeneous polycrystals Xiang, H.
220 C p.
 article
29 Prediction of organic material band gaps using graph attention network Khan, Asad
220 C p.
 article
30 Probing the atomic-scale deformation mechanism of single-crystal nanowires coated with a multi-component alloyed shell Gan, Kefu
220 C p.
 article
31 pySSpredict: A python-based solid-solution strength prediction toolkit for complex concentrated alloys Wen, Dongsheng
220 C p.
 article
32 Representative grain boundaries during anisotropic grain growth Suhane, Ayush
220 C p.
 article
33 Size-dependent optical properties of small titanium nitride nanoclusters Bhagowati, Purbajyoti
220 C p.
 article
34 Temperature-dependent elasticity of single crystalline graphite Polewczyk, Franck
220 C p.
 article
35 The effects of cation and halide anion on the stability, electronic and optical properties of double perovskite Cs2NaMX6 (M = In, Tl, Sb, bi; X  = Cl, Br, I) Dong, Chao
220 C p.
 article
36 The evolution of carbon fiber elements and their effects on fiber mechanical properties from molecular dynamics Ma, Yuanyuan
220 C p.
 article
37 Theoretical screening of synergistic transition metal dual-atom catalysts for overall water splitting Chang, Yaxiang
220 C p.
 article
38 Theoretical study of M2CO2 MXenes stability and adsorption properties for heavy metals ions removal from water Cheng, Yuwen
220 C p.
 article
39 Thermodynamics of native defects in V2O5 crystal: A first-principles method Song, Wenqi
220 C p.
 article
40 Variations in the elastic properties and lattice parameters of Mo–Ti and Mo–Cr BCC solid solutions, as estimated by DFT calculations Kaneko, Takahiro
220 C p.
 article
                             40 results found
 
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