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                             93 results found
no title author magazine year volume issue page(s) type
1 Ab initio interface configuration determination for β″ in Al–Mg–Si: Beyond the constraint of a preserved precipitate stoichiometry Ehlers, Flemming J.H.
 2014
 81 C p. 617-629
13 p.
 article
2 Ab initio study of In x Ga 1−x N – Performance of the alchemical mixing approximation Scharoch, P.
 2014
 81 C p. 358-365
8 p.
 article
3 Ab initio study of the structural, electronic and optical properties of the fluoropervskite SrXF3 (X=Li, Na, K and Rb) compounds Mubarak, A.A.
 2014
 81 C p. 478-482
5 p.
 article
4 A crystal plasticity study of the effect of friction on the evolution of texture and mechanical behaviour in the nano-indentation of an aluminium single crystal Liu, Mao
 2014
 81 C p. 30-38
9 p.
 article
5 An analysis of interfacial adhesion in nanocomposites from recycled polymers Zare, Yasser
 2014
 81 C p. 612-616
5 p.
 article
6 An evolutionary anisotropic model for sheet metals based on non-associated flow rule approach Safaei, Mohsen
 2014
 81 C p. 15-29
15 p.
 article
7 Application of attractive potential by DFT+ U to predict the electronic properties of materials without highly localized bands Khatri, Prashant
 2014
 81 C p. 290-295
6 p.
 article
8 Atomistic dynamics of the bcc↔fcc phase transition in iron: Competition of homo- and heterogeneous phase growth Wang, Binjun
 2014
 81 C p. 170-177
8 p.
 article
9 Atomistic simulations of Cu2O bulk and Cu/Cu2O interface properties by using a new interatomic potential Hallil, Abdelmalek
 2014
 81 C p. 366-373
8 p.
 article
10 Automatic versatile parametric procedure for a complete FEM structural analysis of composites having cylinder-shaped reinforcing fibres Naddeo, Francesco
 2014
 81 C p. 239-245
7 p.
 article
11 Bending properties of Ag nanowires with pre-existing surface defects Zhan, H.F.
 2014
 81 C p. 45-51
7 p.
 article
12 Bimodal domain configuration and wedge formation in tetragonal Pb[Zr1−x Ti x ]O3 ferroelectrics Schmitt, Ljubomira Ana
 2014
 81 C p. 123-132
10 p.
 article
13 Cellular automaton simulation of hot deformation of TRIP steel Zhi, Ying
 2014
 81 C p. 104-112
9 p.
 article
14 Characterizing solute segregation and grain boundary energy in binary alloy phase field crystal models Stolle, Jonathan
 2014
 81 C p. 493-502
10 p.
 article
15 Computational modeling of elastic properties of carbon nanotube/polymer composites with interphase regions. Part II: Mechanical modeling Han, Fei
 2014
 81 C p. 652-661
10 p.
 article
16 Computational modeling of elastic properties of carbon nanotube/polymer composites with interphase regions. Part I: Micro-structural characterization and geometric modeling Han, Fei
 2014
 81 C p. 641-651
11 p.
 article
17 Contents continued 2014
 81 C p. IV-VI
nvt p.
 article
18 Contribution of stacking fault in lowering the theoretical density of nickel Mittra, Joy
 2014
 81 C p. 249-252
4 p.
 article
19 Desolvation and decomposition of metal (Mn, Co and Ni)–ethylene carbonate complexes: Relevance to battery performance Han, Young-Kyu
 2014
 81 C p. 548-550
3 p.
 article
20 Disconnect armchair carbon nanotube as rectifier predicted by first-principles study Min, Y.
 2014
 81 C p. 418-422
5 p.
 article
21 3D modelling of ceramic composites and simulation of their electrical, thermal and elastic properties Müller, T.M.
 2014
 81 C p. 205-211
7 p.
 article
22 Editorial Kiet Tieu, A.
 2014
 81 C p. 1-
1 p.
 article
23 Effect of Cu-doped site and charge on the optical and magnetic properties of 55-atom Ag cluster: A density functional theory study Li, Weiyin
 2014
 81 C p. 587-594
8 p.
 article
24 Effect of residual stresses on the stability of bct-5 silicon Mylvaganam, Kausala
 2014
 81 C p. 10-14
5 p.
 article
25 Effects of interfacial electron transfer on the magnetic structure of SrMnO3 in LaAlO3/SrMnO3 heterostructures Xu, Qinfang
 2014
 81 C p. 483-487
5 p.
 article
26 Elastic modulus and thermal properties of InN in the rocksalt phase Saib, S.
 2014
 81 C p. 374-377
4 p.
 article
27 Elastic properties, lattice dynamics and structural transitions in molybdenum at high pressures Krasilnikov, O.M.
 2014
 81 C p. 313-318
6 p.
 article
28 Electronic and magnetic properties of transition-metal atoms absorbed on Stone–Wales defected graphene sheet: A theory study Zhou, Qingxiao
 2014
 81 C p. 348-352
5 p.
 article
29 Electronic, magnetic and optical properties of β-Ti3O5 and λ-Ti3O5: A density functional study Liu, Rui
 2014
 81 C p. 158-162
5 p.
 article
30 Electronic structure trends of Möbius graphene nanoribbons from minimal-cell simulations Korhonen, Topi
 2014
 81 C p. 264-268
5 p.
 article
31 Electron transport properties of zigzag single walled tin carbide nanotubes Samanta, Pabitra Narayan
 2014
 81 C p. 326-331
6 p.
 article
32 Evaluation of elastic properties of multi walled carbon nanotube reinforced composite Joshi, Preeti
 2014
 81 C p. 332-338
7 p.
 article
33 Fabrication, modelling and evaluation of microstructured materials in a digital framework Yang, Chunhui
 2014
 81 C p. 89-97
9 p.
 article
34 Finite element simulation of large-strain single-crystal viscoplasticity: An investigation of various hardening relations Povall, T.M.
 2014
 81 C p. 386-396
11 p.
 article
35 Finite element simulation of nano-indentation experiment on aluminum 1100 Karimzadeh, A.
 2014
 81 C p. 595-600
6 p.
 article
36 First-principles-based phase diagrams and thermodynamic properties of TCP phases in Re–X systems (X=Ta, V, W) Palumbo, Mauro
 2014
 81 C p. 433-445
13 p.
 article
37 First principles calculations of electronic structure and magnetic properties of UCuSb2 Werwiński, M.
 2014
 81 C p. 402-409
8 p.
 article
38 First-principles equation of state and phase stability of niobium pentoxide Valencia-Balvín, C.
 2014
 81 C p. 133-140
8 p.
 article
39 First-principles generalized gradient approximation (GGA)+ Ud + Up studies of electronic structures and optical properties in cubic HfO2 Li, Jinping
 2014
 81 C p. 397-401
5 p.
 article
40 First-principles investigation of the electronic and magnetic properties of ZnO nanosheet with intrinsic defects Qin, Guoping
 2014
 81 C p. 259-263
5 p.
 article
41 First principles investigation of the structure and electronic properties of Cu2Te Zhang, Yinggan
 2014
 81 C p. 163-169
7 p.
 article
42 First-principles study of hydrogen storage and diffusion in B2 FeTi alloy Nong, Zhi-Sheng
 2014
 81 C p. 517-523
7 p.
 article
43 First-principles study of oxygen and aluminum defects in β-Si3N4: Compensation and charge trapping Grillo, Maria Elena
 2014
 81 C p. 178-183
6 p.
 article
44 First principles study of the voltage-dependent conductance properties of n-type and p-type graphene–metal contacts Yamacli, Serhan
 2014
 81 C p. 607-611
5 p.
 article
45 First-principles study on electronic and optical properties of transparent conducting oxide CuBO2 Thatribud, A.
 2014
 81 C p. 601-606
6 p.
 article
46 First principle study of MF2 (M=Mg, Ca, Sr, Ba, Ra) compounds Jibran, M.
 2014
 81 C p. 575-581
7 p.
 article
47 Heat transfer by conduction using DEM–FEM coupling method Haddad, H.
 2014
 81 C p. 339-347
9 p.
 article
48 High pressure structural, elastic, mechanical and thermal behavior of LaX3 (X=In, Sn, Tl and Pb) compounds: A FP-LAPW study Abraham, Jisha Annie
 2014
 81 C p. 423-432
10 p.
 article
49 Hybrid carbon/glass fiber composites: Micromechanical analysis of structure–damage resistance relationships Mishnaevsky Jr., Leon
 2014
 81 C p. 630-640
11 p.
 article
50 IFC 2014
 81 C p. IFC-
1 p.
 article
51 Influence of adsorbates on the segregation properties of Au–Pd bimetallic clusters Li, Mingjiang
 2014
 81 C p. 253-258
6 p.
 article
52 Influence of cold rolling reduction on the deformation behaviour and crystallographic orientation development Deng, G.Y.
 2014
 81 C p. 2-9
8 p.
 article
53 Influence of outer corner angle (OCA) on the plastic deformation and texture evolution in equal channel angular pressing Deng, Guanyu
 2014
 81 C p. 79-88
10 p.
 article
54 Insights into the adsorption of CH2BrF on anatase TiO2 (101) surface through DFT modelling Scaranto, Jessica
 2014
 81 C p. 556-560
5 p.
 article
55 Lithium-doped triazine-based graphitic C3N4 sheet for hydrogen storage at ambient temperature Zhu, Guizhi
 2014
 81 C p. 275-279
5 p.
 article
56 Local structure, magnetic and electronic properties of N-doped α-Cr2O3 from the first-principles Stashans, Arvids
 2014
 81 C p. 353-357
5 p.
 article
57 Magneto-electronic studies of anti-perovskites NiNMn3 and ZnNMn3 Ali, Zahid
 2014
 81 C p. 141-145
5 p.
 article
58 Mechanical properties of aluminium foam derived from infiltration casting of salt dough Fiedler, T.
 2014
 81 C p. 246-248
3 p.
 article
59 Method and advantages of genetic algorithms in parameterization of interatomic potentials: Metal oxides Solomon, José
 2014
 81 C p. 453-465
13 p.
 article
60 Modeling and simulation of buckling of embedded carbon nanotubes Kulathunga, D.D.T.K.
 2014
 81 C p. 233-238
6 p.
 article
61 Modeling evolutions of plastic strain, maximum transformation strain and transformation temperatures in SMA under superelastic cycling Zhang, Xiaoyong
 2014
 81 C p. 113-122
10 p.
 article
62 Modeling of dislocation density and strength on rheoforged A356 alloy during multi-directional forging Kavosi, J.
 2014
 81 C p. 284-289
6 p.
 article
63 Modeling of efficient charge transfer materials of 4,6-di(thiophen-2-yl)pyrimidine derivatives: Quantum chemical investigations Irfan, Ahmad
 2014
 81 C p. 488-492
5 p.
 article
64 Molecular dynamics simulation of the grain boundary sliding behaviour for Al Σ5 (210) Cheng, KuiYu
 2014
 81 C p. 52-57
6 p.
 article
65 Molecular Dynamics virtual testing of thermally aged Fe–Cu microstructures obtained from multiscale simulations Molnar, David
 2014
 81 C p. 466-470
5 p.
 article
66 Molecular simulations on separation of atoms with carbon nanotubes in torsion Khosrozadeh, A.
 2014
 81 C p. 280-283
4 p.
 article
67 Multiscale model of elastic nanocontacts Michal, Guillaume
 2014
 81 C p. 98-103
6 p.
 article
68 Nitrogen-vacancy induced intrinsic ferromagnetism and half-metallicity in BN Chen, Yifei
 2014
 81 C p. 212-215
4 p.
 article
69 Numerical implementation of a new coupled cyclic plasticity and continum damage model Bonora, N.
 2014
 81 C p. 538-547
10 p.
 article
70 Numerical investigation of energy absorption mechanisms in unidirectional composites subjected to dynamic loading events Segala, D.B.
 2014
 81 C p. 303-312
10 p.
 article
71 Numerical study of the effect of prior deformation history on texture evolution during equal channel angular pressing Kim, Dong-Kyu
 2014
 81 C p. 68-78
11 p.
 article
72 On the convergence of the iterative self-consistent embedded cell model Salit, Victor
 2014
 81 C p. 199-204
6 p.
 article
73 Phase-field modeling of Widmanstätten ferrite formation during isothermal transformation in low carbon steels Yan, Wei
 2014
 81 C p. 503-509
7 p.
 article
74 Physical, mathematical, and numerical derivations of the Cahn–Hilliard equation Lee, Dongsun
 2014
 81 C p. 216-225
10 p.
 article
75 Physical, mechanical, thermodynamic and electronic characterization of Cu11In9 crystal using first-principles density functional theory calculation Cheng, Hsien-Chie
 2014
 81 C p. 146-157
12 p.
 article
76 Pressure effect on the structural, elastic and electronic properties of Nb2AC (A=S and In) phases; ab initio study Romeo, M.
 2014
 81 C p. 184-190
7 p.
 article
77 Pseudopotentials for high-throughput DFT calculations Garrity, Kevin F.
 2014
 81 C p. 446-452
7 p.
 article
78 Recent developments in flat-clinching Gerstmann, Thoralf
 2014
 81 C p. 39-44
6 p.
 article
79 RETRACTED: Elucidating of rotation speed in friction stir welding of pure copper: Thermal modeling Jabbari, Masoud
 2014
 81 C p. 296-302
7 p.
 article
80 Simulation of temperature field during nanoscale orthogonal cutting of single-crystal silicon by molecular statics method Lin, Zone-Ching
 2014
 81 C p. 58-67
10 p.
 article
81 Simulations of nonlinear deformations in Ni–Ti shape memory alloys under tension/compression using an energy minimization model Zhou, Xilong
 2014
 81 C p. 530-537
8 p.
 article
82 Structural, elastic, electronic, chemical bonding and optical properties of Cu-based oxides ACuO (A=Li, Na, K and Rb): An ab initio study Bouhemadou, A.
 2014
 81 C p. 561-574
14 p.
 article
83 Structure and thermomechanical behavior of bent GaN nanowires Jung, Kwangsub
 2014
 81 C p. 524-529
6 p.
 article
84 The first-principles study on physical properties and phase stability of Boron-V (BN, BP, BAs, BSb and BBi) compounds Ustundag, M.
 2014
 81 C p. 471-477
7 p.
 article
85 The influence of residual stress on incipient plasticity in single-crystal copper thin film under nanoindentation Sun, Kun
 2014
 81 C p. 226-232
7 p.
 article
86 Theoretical insight into the structural, elastic and electronic properties of N4H4 compounds Liu, Qi-Jun
 2014
 81 C p. 582-586
5 p.
 article
87 Theoretical studies of elastic properties of orthorhombic LiBH4 Li, Shina
 2014
 81 C p. 378-385
8 p.
 article
88 Thermodynamics based modelling of the precipitation kinetics in commercial aluminium alloys Liu, Zhenshan
 2014
 81 C p. 410-417
8 p.
 article
89 The size effect in mechanical properties of finite-sized graphene nanoribbon Chu, Yanbiao
 2014
 81 C p. 269-274
6 p.
 article
90 The stability and diffusion properties of foreign impurity atoms on the surface and in the bulk of vanadium: A first-principles study Gong, Ling
 2014
 81 C p. 191-198
8 p.
 article
91 The surface electronic properties of newly designed half-metallic ferromagnets: GeKCa and SnKCa Białek, Beata
 2014
 81 C p. 510-516
7 p.
 article
92 Topological derivative based optimization of 3D porous elastic microstructures Özdemir, İzzet
 2014
 81 C p. 319-325
7 p.
 article
93 Tuning the electronic and magnetic properties in zigzag boron nitride nanoribbons with carbon dopants Song, L.L.
 2014
 81 C p. 551-555
5 p.
 article
                             93 results found
 
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