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60 results found

no	title	author	magazine	year	volume	issue	page(s)	type
1	Accurate interatomic potential for the nucleation in liquid Ti-Al binary alloy developed by deep neural network learning method	Zhai, B.			216	C	p.	article
2	aflow.org: A web ecosystem of databases, software and tools	Esters, Marco			216	C	p.	article
3	A level-set formulation to simulate diffusive solid/solid phase transformation in polycrystalline metallic materials - Application to austenite decomposition in steels	Chandrappa, N.			216	C	p.	article
4	Alloying and magnetic disordering effects on the thermodynamic properties and phase stability of Co2Cr(Ga, Si) and Co2Cr(Al, Si) Heusler alloys	Li, Chun-Mei			216	C	p.	article
5	A machine learning approach to predict the structural and magnetic properties of Heusler alloy families	Mitra, Srimanta			216	C	p.	article
6	Anomalous strain-dependent charge density in honeycomb borophene	Xu, Yuanpu			216	C	p.	article
7	A one-dimensional field dislocation mechanics model using discontinuous Galerkin method	Breeden, Ja’Nya			216	C	p.	article
8	A phase-field model for interactive evolution of phase transformation and cracking in superelastic shape memory ceramics	Lotfolahpour, Amirreza			216	C	p.	article
9	Application of Gaussian processes and transfer learning to prediction and analysis of polymer properties	Chen, Zhudan			216	C	p.	article
10	A stochastic framework for evolving grain statistics using a neural network model for grain topology transformations	Kim, Jaekwang			216	C	p.	article
11	Capabilities of Auto-encoders and Principal Component Analysis of the reduction of microstructural images; Application on the acceleration of Phase-Field simulations	Fetni, Seifallah			216	C	p.	article
12	Classification of slip system interaction in microwires under torsion	Zoller, Kolja			216	C	p.	article
13	Computational investigation of hydrogen-induced phonon changes in carbon fiber	Isbill, Sara B.			216	C	p.	article
14	Construction and high throughput exploration of phase diagrams of multi-component organic blends	Vaddi, Kiran			216	C	p.	article
15	Corrigendum to “Amorphous boron carbide from ab initio simulations” [Comput. Mater. Sci. 173 (2020) 109397]	Yıldız, Tevhide Ayça			216	C	p.	article
16	Data-mining of in-situ TEM experiments: Towards understanding nanoscale fracture	Steinberger, Dominik			216	C	p.	article
17	Defects study in zinc blende ZnS utilizing optimized hybrid functional	Duy Ho, Quoc			216	C	p.	article
18	Designing catalysts via evolutionary-based optimization techniques	Agharezaei, Parastoo			216	C	p.	article
19	Disordering in Fe3Ga alloy of D03 structure: Effect on stability and magnetostriction	Inerbaev, Talgat			216	C	p.	article
20	Easily exfoliable monolayer of GdTe 3 : ab initio study	Ahamed, Imran			216	C	p.	article
21	Editorial Board				216	C	p.	article
22	Effect of surface morphology on Tungsten sputtering yields	Lopez-Cazalilla, Alvaro			216	C	p.	article
23	Electronic and transport properties of Heusler alloy based magnetic tunneling junctions: A first principles study	Bhattacharya, Joydipto			216	C	p.	article
24	Evaluation and screening of porous materials containing fluorine for carbon dioxide capture and separation	Yuan, Junpeng			216	C	p.	article
25	Evaluation of copper spall response using Mie-Grüneisen equation-of-state parameters determined from molecular dynamics	Wang, Fang			216	C	p.	article
26	Evidence of molecular clicking on self-assembled monolayers on Au (111) and their properties	YazdanYar, Azade			216	C	p.	article
27	Examining solid-state sintering of AlCoCrFeNi multi-principal element alloy by molecular simulations	Sreeramagiri, Praveen			216	C	p.	article
28	First-principles approaches and models for crystal defect energetics in metallic alloys	Hu, Yong-Jie			216	C	p.	article
29	First-principles calculations of phosphorus-doped SnO2 transparent conducting oxide: Structural, electronic, and electrical properties	Mondaca, F.			216	C	p.	article
30	First principles investigation on the boron-oxygen complexes in diamond	Zhang, Ming			216	C	p.	article
31	First-principles studies of the two-dimensional 1H-BeP2 as an electrode material for rechargeable metal ion (Li+, Na+, K+) batteries	Qiu, Qi-Hang			216	C	p.	article
32	First principle studies on electronic and thermoelectric properties of Fe2TiSn based multinary Heusler alloys	Choudhary, Mukesh K.			216	C	p.	article
33	Grain growth competition during melt pool solidification — Comparing phase-field and cellular automaton models	Elahi, S.M.			216	C	p.	article
34	Hierarchical machine learning based structure–property correlations for as–cast complex concentrated alloys	Thoppil, George Stephen			216	C	p.	article
35	High-efficient low-cost characterization of composite material properties using domain-knowledge-guided self-supervised learning	Xie, Binglin			216	C	p.	article
36	High-Throughput screening quaternary kesterite Cu2ABS4 (A = Divalent metals; B = Tetravalent metals) photovoltaic materials	Peng, Shuo			216	C	p.	article
37	High-velocity transverse impact of monolayer graphene oxide by a molecular dynamics study	Bidhendi, Mohammad Reza Talebi			216	C	p.	article
38	Hydrogenated vacancy induced changes in thermodynamic stability and mechanical properties of Re-containing γ-Ni/γ'-Ni3Al phase interface	Sun, Jian-Dong			216	C	p.	article
39	In search of the ground-state crystal structure of Ta2O5 from ab initio and Monte Carlo simulations	Pedrielli, Andrea			216	C	p.	article
40	Insight into the loop-punching mechanism for He bubble growth: The plastic deformation modes and their competition	Xu, Ke			216	C	p.	article
41	Interfacial stability analysis between Ca-doped Na3PS4 solid electrolyte and Na anode from first-principles calculations	Li, Han			216	C	p.	article
42	Linear viscoelastic shear and bulk relaxation moduli in poly(tetramethylene oxide) (PTMO) using united-atom molecular dynamics	Shireen, Zakiya			216	C	p.	article
43	Magnetism in single-layer of Zrse 2 by substituting 3 d transition metals for Zr: Structural symmetry versus exchange splitting	Maghool, Shahrzad			216	C	p.	article
44	MULTICOMP package for multilevel simulation of polymer nanocomposites	Akhukov, Mikhail A.			216	C	p.	article
45	Multi-scale analysis of thermoelastic properties of graphene foam/PDMS composites	Khosravani, Sajedeh			216	C	p.	article
46	Multiscale simulation of surface-assisted synthesis of 7-armchair graphene nanoribbons	Nguyen, Thanh Chinh			216	C	p.	article
47	Novel Li rich perovskites Li4NBI3 (B = Ge, Sn, or Pb) with high mobility based on super alkali cation Li4N	Lai, Xinxin			216	C	p.	article
48	Pd doping Au(111) surfaces enhancing formaldehyde adsorption: A first-principle study	Wu, Guang			216	C	p.	article
49	Role of vibrational entropy in impurity segregation at grain boundaries in bcc iron	Řehák, Petr			216	C	p.	article
50	Roles of hydrogen in structural stability and electronic property of bulk hydrogenated amorphous silicon	Zhang, Haimin			216	C	p.	article
51	Seeking widely applicable dispersion-corrected GGA functionals: The performances of TCA+D3 and RevTCA+D3 on solid-state systems	Fabiano, Eduardo			216	C	p.	article
52	Segmentation of tomography datasets using 3D convolutional neural networks	James, Jim			216	C	p.	article
53	Structural and rheological properties of CuZrAl metallic glasses under pressure preloading	Amigo, Nicolás			216	C	p.	article
54	Substructure interaction graph network with node augmentation for hybrid chemical systems of heterogeneous substructures	Na, Gyoung S.			216	C	p.	article
55	The electronic, mechanical properties and in-plane negative Poisson’s ratio in novel pentagonal NiX2 (X = S, Se, Te) monolayers with strong anisotropy: A first-principles prediction	Mao, Yongqiang			216	C	p.	article
56	The hydrogen-resistant surface of steels designed by alloy elements doping: First-principles calculations	Xiong, X.L.			216	C	p.	article
57	The N-body interatomic potentials for molecular dynamics simulations of diffusion in C15 Cr 2 Ta Laves phase	Poletaev, D.O.			216	C	p.	article
58	Tunable electronic and optical properties of 2D SiGe/SnI2 vdW heterostructures for high-performance ultraviolet photodetectors	Yang, Dinghua			216	C	p.	article
59	Twinning and antitwinning in body-centered cubic metals	Gröger, Roman			216	C	p.	article
60	Unraveling the substitution and strain-induced hydrogen diffusion performance of ZrCo-based intermetallics	Cheng, Junliang			216	C	p.	article

60 results found

Koninklijke Bibliotheek - National Library of the Netherlands