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                             72 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio molecular dynamics simulations of negative thermal expansion in ScF3: The effect of the supercell size Bocharov, D.
 2020
 171 C p.
 artikel
2 Ab initio study and thermodynamic modeling of the Pd-Si-C system Jiang, Chao
 2020
 171 C p.
 artikel
3 A computer vision based machine learning approach for fatigue crack initiation sites recognition Wang, S.Y.
 2020
 171 C p.
 artikel
4 Activation volume dominated diffusivity of Ni50Al50 melt under extreme conditions Tang, Jian
 2020
 171 C p.
 artikel
5 A DFT study on corrosion mechanism of steel bar under water-oxygen interaction Chen, Zheng
 2020
 171 C p.
 artikel
6 A 3D phase field dislocation dynamics model for body-centered cubic crystals Peng, Xiaoyao
 2020
 171 C p.
 artikel
7 A first-principles DFT dispersion-corrected C60/Au(111) Raman study Villagómez, Carlos J.
 2020
 171 C p.
 artikel
8 A novel two-dimensional mechanical metamaterial with negative Poisson’s ratio Wang, Hui
 2020
 171 C p.
 artikel
9 Comprehensive study on the electronic and optical properties of α-U3O8 Ranasinghe, Jayangani I.
 2020
 171 C p.
 artikel
10 Crystal plasticity finite element modelling of coarse-grained α -uranium Grilli, Nicolò
 2020
 171 C p.
 artikel
11 Deformation of copper particles upon impact: A molecular dynamics study of cold spray Rahmati, S.
 2020
 171 C p.
 artikel
12 Discrepancies in the mechanical properties of gold nanowires: The importance of potential type and equilibration method Morrissey, Liam S.
 2020
 171 C p.
 artikel
13 Dislocation based stresses during electrochemical cycling and phase transformation in lithium-ion batteries Dhiman, Pankaj
 2020
 171 C p.
 artikel
14 Editorial Board 2020
 171 C p.
 artikel
15 Effective Coulomb interaction in actinides from linear response approach Qiu, Ruizhi
 2020
 171 C p.
 artikel
16 Effect of potential on dissociative adsorption of water on titanium assessed by density functional theory calculations Betova, Iva
 2020
 171 C p.
 artikel
17 Effect of Y on the structure-property relationship of Mg65Cu25Y10 metallic glass Niu, Xiaofeng
 2020
 171 C p.
 artikel
18 Effect of zinc-doping on tensile strength of Σ5 bcc Fe symmetric tilt grain boundary Peng, Wangjun
 2020
 171 C p.
 artikel
19 Effects of NPBA on interface interaction and mechanical properties of NEPE propellant: Insight from molecular dynamics simulation Zhang, Ping-An
 2020
 171 C p.
 artikel
20 Evaluating explorative prediction power of machine learning algorithms for materials discovery using k -fold forward cross-validation Xiong, Zheng
 2020
 171 C p.
 artikel
21 Evaluation of DFT methods to calculate structure and partial atomic charges for zeolite N Khosravi, Monireh
 2020
 171 C p.
 artikel
22 Evolution in aluminum applications by numerically-designed high strength boron-nitride/Al nanocomposites Sedigh, P.
 2020
 171 C p.
 artikel
23 Ferromagnetic half-metal properties of two dimensional vertical tellurene/VS2 heterostructure: A first-principles study Yu, Weiyang
 2020
 171 C p.
 artikel
24 First-principles investigation of monatomic gold wires under tension He, Lianhua
 2020
 171 C p.
 artikel
25 First-principles study of the coexisting ferroelectric and ferromagnetic properties of the La0.75Bi0.25CrO3 compound Martínez-Aguilar, E.
 2020
 171 C p.
 artikel
26 Geometric effects on self-assemble of a BP ribbon on a CNT Wang, Yixuan
 2020
 171 C p.
 artikel
27 High-throughput, algorithmic determination of pore parameters from electron microscopy Yu, Zhong Xin
 2020
 171 C p.
 artikel
28 Improving the porosity of the alloy Ni-Cr-WC by coating CeO2: First principles calculation combined with experiment Hu, Tianshi
 2020
 171 C p.
 artikel
29 Influence of dislocations and grain boundaries on diffraction line profiles of nano-crystalline materials: A numerical study Naveen Kumar, N.
 2020
 171 C p.
 artikel
30 Intriguing of two-dimensional Janus surface-functionalized MXenes: An ab initio calculation Akgenc, Berna
 2020
 171 C p.
 artikel
31 Investigation of the thermodynamic properties of Al4C3: A combined DFT and DSC study Pisch, A.
 2020
 171 C p.
 artikel
32 Investigation on the efficiency and accuracy of methods for calculating melting temperature by molecular dynamics simulation Zou, YangChun
 2020
 171 C p.
 artikel
33 Large-scale DFT simulation of quinone molecules encapsulated in single-walled carbon nanotube for novel Li-ion battery cathode Tsuzuki, Takahiro
 2020
 171 C p.
 artikel
34 Large–scale phase–field lattice Boltzmann study on the effects of natural convection on dendrite morphology formed during directional solidification of a binary alloy Takaki, Tomohiro
 2020
 171 C p.
 artikel
35 Mechanism of surface nanostructure changing wettability: A molecular dynamics simulation Chen, Lei
 2020
 171 C p.
 artikel
36 Modeling of CCT diagrams for tool steels using different machine learning techniques Geng, Xiaoxiao
 2020
 171 C p.
 artikel
37 Molecular dynamics simulation of Surface-Adsorbed-Hydrogen-Induced Dislocation Motion in a thin film Matsumoto, Ryosuke
 2020
 171 C p.
 artikel
38 Molecular dynamics study on void collapse in single crystal hcp-Ti under hydrostatic compression Xu, Qian
 2020
 171 C p.
 artikel
39 Multiphase field modelling of alloy solidification Bollada, P.C.
 2020
 171 C p.
 artikel
40 Neural network aided development of a semi-empirical interatomic potential for titanium Dickel, D.
 2020
 171 C p.
 artikel
41 New modulated structures of solid bromine at high pressure Li, Peifang
 2020
 171 C p.
 artikel
42 Numerical study of three-body diamond abrasive polishing single crystal Si under graphene lubrication by molecular dynamics simulation Dai, Houfu
 2020
 171 C p.
 artikel
43 On the transition of fracture toughness in metallic materials with thickness: An atomistic viewpoint Singh, Rajwinder
 2020
 171 C p.
 artikel
44 Optoelectronic properties of phosphorene quantum dots functionalized with free base porphyrins Samia, A.
 2020
 171 C p.
 artikel
45 Perspective on coarse-graining, cognitive load, and materials simulation Jankowski, Eric
 2020
 171 C p.
 artikel
46 Phase-field simulation of multi-phase interactions in Fe-C peritectic solidification Yang, Chao
 2020
 171 C p.
 artikel
47 Plastic deformation mechanisms of tension-compression asymmetry of nano-polycrystalline tial: Twin boundary spacing and temperature effect Tian, Yu
 2020
 171 C p.
 artikel
48 Predicting excellent anisotropic thermoelectric performance of the layered oxychalcogenides BiAgOCh (Ch = S, Se, and Te) Li, Jingyu
 2020
 171 C p.
 artikel
49 Prediction of the zirconium hydride precipitation barrier with an anisotropic 3D phase-field model incorporating bulk thermodynamics and elasticity Welland, M.J.
 2020
 171 C p.
 artikel
50 Prenucleation at the liquid-Al/α-Al2O3 and the liquid-Al/MgO interfaces Fang, Changming
 2020
 171 C p.
 artikel
51 Projector augmented-wave pseudopotentials for uranium-based compounds Torres, E.
 2020
 171 C p.
 artikel
52 Pseudopotential for plane-wave density functional theory studies of metallic uranium Iasir, A. Rafi M.
 2020
 171 C p.
 artikel
53 Reciprocal space approach to effective constitutive parameters of periodic composites Goncharenko, Anatoliy V.
 2020
 171 C p.
 artikel
54 Role of coherency loss on rafting behavior of Ni-based superalloys Ali, Muhammad Adil
 2020
 171 C p.
 artikel
55 Role of substituted atoms in stacking fault formation in long-period stacking ordered system Kawano, S.
 2020
 171 C p.
 artikel
56 Solute effects on the Σ3 111 [ 1 1 - 0 ] tilt grain boundary in BCC Fe: Grain boundary segregation, stability, and embrittlement Hu, Yong-Jie
 2020
 171 C p.
 artikel
57 Strength and fracture of graphyne and graphdiyne nanotubes Faria, Bruno
 2020
 171 C p.
 artikel
58 Structural, electronic and transport properties of a single 1,4-benzenediamine molecule attached to metal contacts of Au, Ag and Cu Silva, Carlos E.
 2020
 171 C p.
 artikel
59 Structural, mechanical, and thermodynamic properties of newly-designed superhard carbon materials in different crystal structures: A first-principles calculation Han, Wen-Duo
 2020
 171 C p.
 artikel
60 Structure and dynamics of Cs+ in kaolinite: Insights from molecular dynamics simulations Chen, Zhongcun
 2020
 171 C p.
 artikel
61 Study on time-temperature-transformation diagrams of stainless steel using machine-learning approach Huang, Xiaoya
 2020
 171 C p.
 artikel
62 Suggest a new approach to fabricate AlFe2B2 Wang, Rongcheng
 2020
 171 C p.
 artikel
63 Surface and electronic properties of rutile TiO2 thin films coated with PbO2 Azevedo, D.H.M.
 2020
 171 C p.
 artikel
64 The effect of introducing stochasticity to kinetic mean-field calculations: Comparison with lattice kinetic Monte Carlo in case of regular solid solutions Zaporozhets, Tetyana V.
 2020
 171 C p.
 artikel
65 The GIPAW approach for the study of local structures and the electric field gradients at Cd and Ta impurity sites. Application to doped yttria ceramics Richard, Diego
 2020
 171 C p.
 artikel
66 Theoretical investigation of negatively curved 6.8 2 D carbon based on density functional theory Feng, Xuyang
 2020
 171 C p.
 artikel
67 Theoretical investigation of β-ω phase transformation mechanism in Ti-Mo alloys Cao, Peiyu
 2020
 171 C p.
 artikel
68 Three-dimensional phase-field modeling of porosity dependent intergranular fracture in UO2 Jiang, Wen
 2020
 171 C p.
 artikel
69 Three-dimensional thermosolutal simulation of dendritic and eutectic growth Zhang, Ang
 2020
 171 C p.
 artikel
70 Topological properties of NaAuTe in the hexagonal and Heusler structures Zhang, Minping
 2020
 171 C p.
 artikel
71 Two-dimensional π-conjugated metal bis(dithiolene) nanosheet: A promising anchoring material for lithium-sulfur batteries Cui, Wanjiao
 2020
 171 C p.
 artikel
72 Uniaxial tension deformation study of copper/nickel laminated composites: Effects of lamella number and interlamellar spacing Wang, Yang
 2020
 171 C p.
 artikel
                             72 gevonden resultaten
 
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