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                             79 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio calculations of the thermal properties of boron arsenide Yaddanapudi, Krishna
184 C p.
 artikel
2 A combined machine learning and density functional theory study of binary Ti-Nb and Ti-Zr alloys: Stability and Young’s modulus Xiong, Sangqi
184 C p.
 artikel
3 A high coordination of cross-links in fiber bundles prevents local strain concentrations Shabbir, Huzaifa
184 C p.
 artikel
4 A hybrid phase field model for fracture induced by lithium diffusion in electrode particles of Li-ion batteries Ahmadi, Masoud
184 C p.
 artikel
5 A quantitative phase-field model of gas bubble evolution in UO2 Xiao, Zhihua
184 C p.
 artikel
6 Atomic simulation of crystal orientation effect on coating surface generation mechanisms in cold spray Zhao, Pengyue
184 C p.
 artikel
7 Atomistic simulation of interfacial properties and damage mechanism in graphene nanoplatelet/epoxy composites Alizadeh Sahraei, Abolfazl
184 C p.
 artikel
8 Atomistic simulations of the face-centered-cubic-to-hexagonal-close-packed phase transformation in the equiatomic CoCrFeMnNi high entropy alloy under high compression Hsieh, Kang-Tien
184 C p.
 artikel
9 Bayesian inference of ferrite transformation kinetics from dilatometric measurement Kim, Hoheok
184 C p.
 artikel
10 Calphad coupled phase-field model with mechano-chemical contributions and its application to rafting of γ’ in CMSX-4 Böttger, B.
184 C p.
 artikel
11 Carbon clustering and effect on hydrogen trapping in tungsten: A first-principles study Yang, L.
184 C p.
 artikel
12 Computational design of stable and highly ion-conductive materials using multi-objective bayesian optimization: Case studies on diffusion of oxygen and lithium Karasuyama, Masayuki
184 C p.
 artikel
13 2D approximant lattice model: A framework for the simulation of amorphous film deposition Kawai, Hiroyo
184 C p.
 artikel
14 Decision tree driven construction of rate constant models: Identifying the “top-N” environment atoms that influence surface diffusion barriers in Ag, Cu, Ni, Pd and Pt Sawarkar, Sandip
184 C p.
 artikel
15 Density functional theory study of electronic structure and optical properties of YGa2 Sahakyan, M.
184 C p.
 artikel
16 Development of a fragment kinetic Monte Carlo method for efficient prediction of ionic diffusion in perovskite crystals Nakata, Hiroya
184 C p.
 artikel
17 Editorial Board
184 C p.
 artikel
18 Effect of interatomic potentials on modeling the nanostructure of amorphous carbon by liquid quenching method Liu, Qingkang
184 C p.
 artikel
19 Electronic structure and phase stability of Pt3M (M = Co, Ni, and Cu) bimetallic nanoparticles Rivera Rocabado, David S.
184 C p.
 artikel
20 Electronic structures and magnetism of Zr-, Th-, and U-based metal-organic frameworks (MOFs) by density functional theory Pandey, Shubham
184 C p.
 artikel
21 Empirical interatomic potential for Fe-C system using original Finnis-Sinclair potential function Hyodo, Katsutoshi
184 C p.
 artikel
22 Fast & accurate interatomic potentials for describing thermal vibrations Rohskopf, Andrew
184 C p.
 artikel
23 First principle calculations of pressure dependent yielding in solute strengthened aluminium alloys Frafjord, Jonas
184 C p.
 artikel
24 First-principles calculations on high-temperature desorption loss from iridium Seo, Insung
184 C p.
 artikel
25 First-principles calculations on two superhard BCN allotropes: P 3 ¯ m1-BCN and I41md-BCN Wang, Hongchao
184 C p.
 artikel
26 First-principles prediction of silicon nanocones: Stability and electronic properties Freitas, A.
184 C p.
 artikel
27 First-principles study of the temperature dependence of the elastic constants of hcp titanium Argaman, Uri
184 C p.
 artikel
28 Full field modeling of dynamic recrystallization in a CPFEM context – Application to 304L steel Ruiz Sarrazola, D.A.
184 C p.
 artikel
29 Grain-boundary diffusion modeling in a microstructural material Chepak-Gizbrekht, M.V.
184 C p.
 artikel
30 Grain boundary structure search by using an evolutionary algorithm with effective mutation methods Yang, Chaoming
184 C p.
 artikel
31 Importance of structural deformation features in the prediction of hybrid perovskite bandgaps Park, Heesoo
184 C p.
 artikel
32 Influence of rolling temperature on the structural evolution and residual stress generation of nanocrystalline Nickel during nano-rolling process Vijay Reddy, K.
184 C p.
 artikel
33 Interaction between carbon partitioning and carbide nucleation inside austenite during a bainitic type transformation Elhigazi, F.
184 C p.
 artikel
34 Interface kinetics of rapid solidification of binary alloys by atomistic simulations: Application to Ti-Ni alloys Kavousi, Sepideh
184 C p.
 artikel
35 Intrinsic electronic defect states of anatase using density functional theory Raghav, Abhishek
184 C p.
 artikel
36 Lithium vacancy migration in Li2O2: From first principles studies Gan, Zuoliang
184 C p.
 artikel
37 Machine learning approach to automated analysis of atomic configuration of molecular dynamics simulation Fukuya, Teppei
184 C p.
 artikel
38 Migration energy barriers and diffusion anisotropy of point defects on tungsten surfaces Hao, Jiannan
184 C p.
 artikel
39 Molecular dynamics simulation and experimental investigation of structural transformation and graphitization in diamond during friction Wang, Chengchuan
184 C p.
 artikel
40 Molecular dynamics simulation on CO2 foam system with addition of SiO2 nanoparticles at various sodium dodecyl sulfate (SDS) concentrations and elevated temperatures for enhanced oil recovery (EOR) application Md. Azmi, Nik Salwani
184 C p.
 artikel
41 Molecular dynamics simulations of zinc sulfide deposition on silver sulfide from aqueous solution Sadovnikov, S.I.
184 C p.
 artikel
42 Molecular dynamics simulation study of a polymer droplet transport over an array of spherical nanoparticles Thomas, Anish
184 C p.
 artikel
43 Molecular dynamics study of the mechanical behaviour of ultrathin polymer–metal multilayers under extreme dynamic conditions Dewapriya, M.A.N.
184 C p.
 artikel
44 Multi-phase-field modelling of electromigration-induced void migration in interconnect lines having bamboo structures Ishii, Akimitsu
184 C p.
 artikel
45 Nano-cutting mechanical properties and microstructure evolution mechanism of amorphous/single crystal alloy interface Wang, Pengcheng
184 C p.
 artikel
46 Nanovoid induced martensitic growth under uniaxial stress: Effect of misfit strain, temperature and nanovoid size on PT threshold stress and nanostructure in NiAl Javanbakht, Mahdi
184 C p.
 artikel
47 β ' ' needle-shape precipitate formation in Al-Mg-Si alloy: Phase field simulation and experimental verification Mao, Hong
184 C p.
 artikel
48 New automatic method for generating atomistic models of multi-branched and arbitrary-shaped seamless junctions of carbon nanostructures Zhang, Gang
184 C p.
 artikel
49 Numerical assessment of the effects of microcrack interaction in AM components Kuutti, Juha
184 C p.
 artikel
50 Numerical modeling of equiaxed crystal growth in solidification of binary alloys using a lattice Boltzmann-finite volume scheme Wang, Xuezhou
184 C p.
 artikel
51 On the nature of the structural transitions between anti-Mackay stacking, chiral stacking and their thermal stability in AgCu nanoalloys Settem, Manoj
184 C p.
 artikel
52 Optimization of GPU parallel scheme for simulating ultrafast magnetization dynamics model Lu, Jianzeng
184 C p.
 artikel
53 Optimized interatomic potential for study of structure and phase transitions in Si-Au and Si-Al systems Starikov, S.
184 C p.
 artikel
54 Origin of magnetic phase transition in RMn2Si2 (R = rare-earth ion or Y) intermetallics Korotin, Dm.M.
184 C p.
 artikel
55 Phase-field-lattice Boltzmann simulation of dendrite motion using an immersed boundary method Meng, Shaoxing
184 C p.
 artikel
56 Phase field modelling of diffusion induced grain boundary migration in binary alloys. Mukherjee, Deepjyoti
184 C p.
 artikel
57 Phase-field theory based finite element simulation on thermo-mechanical cyclic deformation of polycrystalline super-elastic NiTi shape memory alloy Xie, Xi
184 C p.
 artikel
58 Physical spread and technical upshift in the band gaps of visible-light photocatalytic bismuth oxyhalide solid solutions Huo, Xuejian
184 C p.
 artikel
59 Rapid evaluation method for anisotropic growth of WS2 monolayers by combining machine learning algorithms and kinetic Monte Carlo simulation data Xia, Yuanfeng
184 C p.
 artikel
60 Reliability of molecular dynamics interatomic potentials for modeling of titanium in additive manufacturing processes Etesami, S. Alireza
184 C p.
 artikel
61 Robust activation energy predictions of solute diffusion from machine learning method He, Kang-ni
184 C p.
 artikel
62 Role of geometric shapes on the load transfer in graphene-PMMA nanocomposites Ding, Peng
184 C p.
 artikel
63 Shear transformation zones structure characterization in Cu50Zr50 metallic glasses under tensile test Amigo, Nicolás
184 C p.
 artikel
64 Simulation of induction hardening: Simulative sensitivity analysis with respect to material parameters and the surface layer state Mühl, F.
184 C p.
 artikel
65 Simulation studies to quantify the impacts of point defects: An investigation of Cs2AgBiBr6 perovskite solar devices utilizing ZnO and Cu2O as the charge transport layers Islam, Tohidul
184 C p.
 artikel
66 Size effect and interfacial strength in nanolaminated Cu/CuxTa100-x composites using molecular dynamics Tran, Anh-Son
184 C p.
 artikel
67 Solution combustion synthesis and Monte Carlo simulation of the formation of CuNi integrated nanoparticles Sdobnyakov, Nickolay
184 C p.
 artikel
68 Spatiotemporal parallelization of an analytical heat conduction model for additive manufacturing via a hybrid OpenMP + MPI approach Stump, B.
184 C p.
 artikel
69 Structural and mechanical behaviors of Mg-Al metallic glasses investigated by molecular dynamics simulations Samiri, A.
184 C p.
 artikel
70 Structural response of alkali metal borates at Fe2O3 sliding interface: The effect of alkali cations Ta, Huong T.T.
184 C p.
 artikel
71 Systematic exploration of magnetic mechanism of La3Co29Si4B10 by first principles calculation Wang, Xiaoxu
184 C p.
 artikel
72 The interstitial diffusion behaviors and mechanisms of boron in α-Ti and β-Ti: A first-principles calculation Duan, Yonghua
184 C p.
 artikel
73 Thermal conductivity of monolayer hexagonal boron nitride: From defective to amorphous Wu, Xin
184 C p.
 artikel
74 The solid–liquid interface free energy of Al: A comparison between molecular dynamics calculations and experimental measurements Yan, R.
184 C p.
 artikel
75 Three-dimensional convolutional neural network (3D-CNN) for heterogeneous material homogenization Rao, Chengping
184 C p.
 artikel
76 Three-dimensional phase field simulation of spheroidal grain formation during semi solid processing of Al-7Si-0.3 Mg alloy Das, Prosenjit
184 C p.
 artikel
77 Tuning thermal resistance of SiC crystal/amorphous layered nanostructures via changing layer thickness Liu, Qunfeng
184 C p.
 artikel
78 {1 0 −1 2} twin boundaries migration accompanied by void in magnesium Xu, Chuanlong
184 C p.
 artikel
79 Understanding the water permeability and Cu2+ removal capability of two-dimensional nanoporous boron nitride Du, Jianbin
184 C p.
 artikel
                             79 gevonden resultaten
 
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