Ab initio calculation of the total energy and elastic properties of Laves phase C15 Al2RE (RE=Sc, Y, La, Ce-Lu) (English)
- New search for: Tao, X.
- New search for: Ouyang, Y.
- New search for: Liu, H.
- New search for: Zeng, F.
- New search for: Feng, Y.
- New search for: Du, Y.
- New search for: Jin, Z.
- New search for: Tao, X.
- New search for: Ouyang, Y.
- New search for: Liu, H.
- New search for: Zeng, F.
- New search for: Feng, Y.
- New search for: Du, Y.
- New search for: Jin, Z.
In:
COMPUTATIONAL MATERIALS SCIENCE
;
44
, 2
;
392-399
;
2008
-
ISSN:
- Article (Journal) / Print
-
Title:Ab initio calculation of the total energy and elastic properties of Laves phase C15 Al2RE (RE=Sc, Y, La, Ce-Lu)
-
Contributors:
-
Published in:COMPUTATIONAL MATERIALS SCIENCE ; 44, 2 ; 392-399
-
Publisher:
- New search for: Elsevier Science B.V., Amsterdam.
-
Publication date:2008-01-01
-
Size:8 pages
-
ISSN:
-
Type of media:Article (Journal)
-
Type of material:Print
-
Language:English
- New search for: 620.1 / 510
- Further information on Dewey Decimal Classification
-
Classification:
-
Source:
© Metadata Copyright the British Library Board and other contributors. All rights reserved.
Table of contents – Volume 44, Issue 2
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 207
-
A generalized hard-sphere model for the irradiation induced viscosity of amorphous binary alloysRest, J. et al. | 2008
- 218
-
The chord length distribution of a two-sphere aggregateGruy, Frédéric / Jacquier, Sandra et al. | 2008
- 224
-
Piezoelectricity in β-phase PVDF crystals: A molecular simulation studyZhu, GuoDong / Zeng, ZhiGang / Zhang, Li / Yan, XueJian et al. | 2008
- 224
-
Piezoelectricity in beta-phase PVDF crystals: a molecular simulation studyZhu, Guodong / Zeng, Zhigang / Zhang, Li / Yan, Xuejian et al. | 2008
- 224
-
Piezoelectricity in b-phase PVDF crystals: A molecular simulation studyZhu, G. / Zeng, Z. / Zhang, L. / Yan, X. et al. | 2008
- 230
-
Some notes on gradient, volumetric and weakest link concepts in fatigueGaenser, Hans-Peter et al. | 2008
- 240
-
Interactions between cation-encapsulated single-walled carbon nanotubes M+@SWNT (M+=H, Li, Na) and nucleophilesContreras-Torres, Flavio F. / Amelines-Sarria, Oscar / Jalbout, Abraham F. / Basiuk, Elena V. / Basiuk, Vladimir A. et al. | 2008
- 247
-
Numerical simulation and experimental investigation of pure copper deformation behavior for equal channel angular pressing/extrusion processXu, S. / Zhao, G. / Ren, G. / Ma, X. et al. | 2008
- 253
-
A constrained finite element formulation for the Landau–Lifshitz–Gilbert equationsSzambolics, H. / Buda-Prejbeanu, L.D. / Toussaint, J.C. / Fruchart, O. et al. | 2008
- 259
-
A micromechanical model for predicting the directional coarsening behavior in Ni-based superalloysWu, Wen-Ping / Guo, Ya-Fang / Dui, Guan-Suo / Wang, Yue-Sheng et al. | 2008
- 265
-
An effective mobility approach to solute drag in computer simulations of migrating grain boundariesStrandlund, Henrik / Odqvist, Joakim / Ågren, John et al. | 2008
- 274
-
Phase behavior and kinetics of a new bond-order potential for siliconSchelling, Patrick K. et al. | 2008
- 280
-
Process stress simulation of medium-high carbon steel after hard-face-welding during martensite transformationLi, Da / Liao, Bo / Liu, Ligang / Zhao, Chunmei / Zhao, Xiqing / Ren, Xuejun / Yang, Qingxiang et al. | 2008
- 286
-
Phase-field simulation of recrystallization based on the unified subgrain growth theorySuwa, Yoshihiro / Saito, Yoshiyuki / Onodera, Hidehiro et al. | 2008
- 296
-
Mathematical model for a straight grate iron ore pellet induration process of industrial scaleSadrnezhaad, S.K. / Ferdowsi, A. / Payab, H. et al. | 2008
- 303
-
Correlation effects in Cr–Zinc chalogenidesTablero, C. et al. | 2008
- 310
-
Zigzag SWNT-amino acid interactions: Theoretical insightsde Leon, Aned / Jalbout, Abraham F. / Basiuk, Vladimir A. et al. | 2008
- 316
-
Study of static recrystallization kinetics in a low alloy steelLin, Y.C. / Chen, Ming-Song / Zhong, Jue et al. | 2008
- 322
-
Nonlinear finite element modeling of polycrystalline ferroelectrics based on constrained domain switchingLi, F.X. / Rajapakse, R.K.N.D. et al. | 2008
- 330
-
A capacitive model for dielectric breakdown in polymer materialsQuiña, P.L. Dammig / Herrera, L. / Irurzun, I.M. / Mola, E.E. et al. | 2008
- 339
-
Material parameters identification: Gradient-based, genetic and hybrid optimization algorithmsChaparro, B.M. / Thuillier, S. / Menezes, L.F. / Manach, P.Y. / Fernandes, J.V. et al. | 2008
- 347
-
Formation and stability of di-transition-metal carbides TixZr1−xC, TixHf1−xC and HfxZr1−xCMaouche, D. / Louail, L. / Ruterana, P. / Maamache, M. et al. | 2008
- 351
-
Atomistic simulations of tension–compression asymmetry in dislocation nucleation for copper grain boundariesTschopp, M.A. / Tucker, G.J. / McDowell, D.L. et al. | 2008
- 363
-
Micromechanical modelling of mechanical behaviour and strength of wood: State-of-the-art reviewMishnaevsky, Leon Jr. / Qing, Hai et al. | 2008
- 371
-
Viscoelasticity properties of biopolymer composite materials determined using finite element calculation and nanoindentationGuessasma, S. / Sehaki, M. / Lourdin, D. / Bourmaud, A. et al. | 2008
- 378
-
Nickel nanowires under uniaxial loads: A molecular dynamics simulation studySetoodeh, A.R. / Attariani, H. / Khosrownejad, M. et al. | 2008
- 385
-
Parameter sensitivity analysis for a Drucker-Prager model following from numerical simulations of indentation testsMagnenet, V. / Giraud, A. / Homand, F. et al. | 2008
- 385
-
Parameter sensitivity analysis for a Drücker–Prager model following from numerical simulations of indentation testsMagnenet, V. / Giraud, A. / Homand, F. et al. | 2008
- 392
-
Ab initio calculation of the total energy and elastic properties of Laves phase C15 Al2RE (RE=Sc, Y, La, Ce–Lu)Tao, Xiaoma / Ouyang, Yifang / Liu, Huashan / Zeng, Fanjiang / Feng, Yuanping / Du, Yong / Jin, Zhanpeng et al. | 2008
- 400
-
Kinetics of the microstructure formation in a rapid solidified immiscible alloyZhao, Jiuzhou / Li, Haili / Wang, Qingliang / He, Jie et al. | 2008
- 404
-
The size and strain effects on the electric-field-induced domain evolution and hysteresis loop in ferroelectric BaTiO3 nanofilmsSang, Yongliang / Liu, Bin / Fang, Daining et al. | 2008
- 411
-
Electronic structure, elasticity and hardness of diborides of zirconium and hafnium: First principles calculationsZhang, Xinghong / Luo, Xiaoguang / Han, Jiecai / Li, Jinping / Han, Wenbo et al. | 2008
- 422
-
Computational aspects of the parametric finite-volume theory for functionally graded materialsCavalcante, Marcio A.A. / Marques, Severino P.C. / Pindera, Marek-Jerzy et al. | 2008
- 439
-
Study on the relationship of chemical structure and order aggregation ability of polyimides: A molecular simulation approachPan, Rui / Zhao, Wei / Song, Lin / Gu, Yi et al. | 2008
- 443
-
Point defect simulations by finite cluster methodKadolkar, Charudatt Y. / Sahariah, Munima B. et al. | 2008
- 449
-
Particle modeling of dynamic fracture simulations of a 2D polymeric material (nylon-6,6) subject to the impact of a rigid indenterWang, G. / Al-Ostaz, A. / Cheng, A.H.-D. / Raju Mantena, P. et al. | 2008
- 464
-
Non-local stress gradient approach for multiaxial fatigue of defective materialKarolczuk, A. / Nadot, Y. / Dragon, A. et al. | 2008
- 476
-
Magnetism and optical spectral of half-metallic BaX (X=N, P, As)Chen, H. / Li, B.H. / Yuan, H.K. et al. | 2008
- 481
-
Non-steady effective thermal conductivity of matrix composite materials with high volume concentration of particlesFang, Xue-Qian et al. | 2008
- 489
-
Fatigue crack growth of a double fillet weldBenachour, M. / Benguediab, M. / Hadjoui, A. / Hadjoui, F. / Benachour, N. et al. | 2008
- 496
-
Numerical simulation of the effect of particle spatial distribution and strength on tensile behavior of particle reinforced compositesAyyar, A. / Crawford, G.A. / Williams, J.J. / Chawla, N. et al. | 2008
- 507
-
Microstructure prediction of the austenite recrystallization during multi-pass steel strip hot rolling: A cellular automaton modelingZheng, Chengwu / Xiao, Namin / Li, Dianzhong / Li, Yiyi et al. | 2008
- 515
-
Aging of maraging steel welds during aluminium alloy die castingKlobčar, D. / Tušek, J. / Taljat, B. / Kosec, L. / Pleterski, M. et al. | 2008
- 523
-
Fracture toughness evaluation using miniature specimen test and neural networkPartheepan, G. / Sehgal, D.K. / Pandey, R.K. et al. | 2008
- 531
-
Structural, electronic and mechanical properties of ReN2 from first principlesZhao, Erjun / Wu, Zhijian et al. | 2008
- 536
-
Ab initio calculations on the early growth state of Pt on TiO2(110) rutile and the role of CO moleculeYongprapat, Sarayut / Therdthianwong, Supaporn / Kritayakornupong, Chinapong et al. | 2008
- 542
-
SIF for cracks repaired with single composite patch having two adhesive bands and double symmetric one in aircraft structuresBezzerrouki, M. / Bouiadjra, B. Bachir / Ouinas, D. et al. | 2008
- 547
-
A pseudo-atom method in potential energy minimization for crystalsVinogradov, Oleg et al. | 2008
- 552
-
Young’s modulus of 2D cellular structures under periodic boundary conditions and subject to structural effectsGuessasma, S. et al. | 2008
- 566
-
Microstructural modeling of dynamic recrystallization using irregular cellular automataYazdipour, N. / Davies, C.H.J. / Hodgson, P.D. et al. | 2008
- 577
-
Phase stability and electronic structures of stoichiometric tantalum mononitridesKim, Tae-Eun / Han, Seungwu / Son, Won-joon / Cho, Eunae / Ahn, Hyo-Shin / Shin, Seokmin et al. | 2008
- 581
-
Elastic analysis for thick cylinders and spherical pressure vessels made of functionally graded materialsChen, Y.Z. / Lin, X.Y. et al. | 2008
- 588
-
A FEM based framework for simulation of thermal treatments: Application to steel quenchingŞimşir, Caner / Gür, Cemil Hakan et al. | 2008
- 601
-
Influence of chemical potential on the computer simulation of hydrogen storage in single-walled carbon nanotube arrayCheng, Jinrong / Zhang, Libo / Ding, Rui / Ding, Zhenfeng / Wang, Xiao / Wang, Zhi / Fang, Xing et al. | 2008
- 605
-
The impact of system restriction in molecular dynamics applied to the melting of Ne at high pressureKoči, L. / Ahuja, R. / Belonoshko, A.B. et al. | 2008
- 611
-
3D coupled thermo-mechanical FE modeling of blank size effects on the uniformity of strain and temperature distributions during hot rolling of titanium alloy large ringsYang, H. / Wang, M. / Guo, L.G. / Sun, Z.C. et al. | 2008
- 622
-
Computational modeling of nano-structured glass fibersAlavinasab, A. / Jha, R. / Ahmadi, G. / Cetinkaya, C. / Sokolov, I. et al. | 2008
- 628
-
Study on the formation of rhenium borides by density functional calculationsSoto, G. / Moreno-Armenta, M.G. / Reyes-Serrato, A. et al. | 2008
- 635
-
Molecular dynamics simulations of the structural, elastic and thermodynamic properties of cubic BBiAmara, K. / Soudini, B. / Rached, D. / Boudali, A. et al. | 2008
- 641
-
Austenite composition design at the atomic scale for the iron-based multi-component alloy as castLiu, Yan-xia / Wang, Xun / Ma, Yong-qing / Zhang, Cheng-hua / Sun, Jia-xing / Sun, Jia-jia et al. | 2008
- 647
-
Hybrid genetic algorithms and support vector regression in forecasting atmospheric corrosion of metallic materialsFang, S.F. / Wang, M.P. / Qi, W.H. / Zheng, F. et al. | 2008
- 656
-
Artificial neural network (ANN) prediction of kinetic parameters of (CRFC) compositesBezerra, E.M. / Bento, M.S. / Rocco, J.A.F.F. / Iha, K. / Lourenço, V.L. / Pardini, L.C. et al. | 2008
- 664
-
Mechanical, electronic and optical properties of antifluorites semiconductors X2C (X=Mg, Be)Laref, S. / Laref, A. et al. | 2008
- 670
-
Numerical simulation of effects of reactor dimensions on isothermal CVI process of C/SiC compositesWei, Xi / Cheng, Laifei / Zhang, Litong / Xu, Yongdong / Pan, Wei et al. | 2008
- 678
-
Designing nanoprecipitation strengthened UHS stainless steels combining genetic algorithms and thermodynamicsXu, W. / Rivera-Díaz-del-Castillo, P.E.J. / van der Zwaag, S. et al. | 2008
- 690
-
First-principles study on the mechanical, electronic and magnetic properties of Fe3CLv, Z.Q. / Zhang, F.C. / Sun, S.H. / Wang, Z.H. / Jiang, P. / Zhang, W.H. / Fu, W.T. et al. | 2008
- 695
-
Evaluation of lamellar spacing selection in eutectic alloys using phase field modelZanotello, M. / Cunha, M.C.C. / Caram, R. et al. | 2008
- 702
-
Atomistic simulation on the structure and lattice vibration of RCo2Al8 (R=La, Ce and Pr)Tian, Hui-Jun / Qian, Ping / Shen, Jiang / Chen, Nan-Xian et al. | 2008
- 707
-
Numerical simulation of microstructural evolution of ceramic tool materialsFang, Bin / Huang, Chuan-zhen / Xu, Chong-hai / Sun, Sheng et al. | 2008
- 716
-
A theoretical analysis of FGM thin plates based on physical neutral surfaceZhang, Da-Guang / Zhou, You-He et al. | 2008
- 721
-
Theoretical study of misfit dislocation in interface dynamicsLong, Y. / Chen, N.X. et al. | 2008
- 728
-
Static and dynamic polarizabilities of (CdSe)n (n=1–16) clustersJha, Prakash Chandra / Seal, Prasenjit / Sen, Sabyasachi / Ågren, Hans / Chakrabarti, Swapan et al. | 2008
- 733
-
An enriched-FEM model for simulation of localization phenomenon in Cosserat continuum theoryKhoei, A.R. / Karimi, K. et al. | 2008
- 750
-
A diffusion controlling duplex-layer oxidation model with scale removal in oxygen containing liquid metal flowTan, Taide / Chen, Yitung / Chen, Huajun et al. | 2008
- 760
-
A method to predict flow stress considering dynamic recrystallization during hot deformationHe, Xiaoming / Yu, Zhongqi / Lai, Xinmin et al. | 2008
- 765
-
Static analysis of functionally graded short beams including warping and shear deformation effectsBenatta, M.A. / Mechab, I. / Tounsi, A. / Adda Bedia, E.A. et al. | 2008
- 774
-
Ab initio calculations of elastic constants and thermodynamic properties of NiAl under high pressuresFu, Hongzhi / Li, Dehua / Peng, Feng / Gao, Tao / Cheng, Xinlu et al. | 2008
- 779
-
Phonons and heat capacity of LaAlO3Vali, R. et al. | 2008
- 783
-
Numerical solution of the diffusion equation with moving boundary applied to modelling of the austenite–ferrite phase transformationPernach, M. / Pietrzyk, M. et al. | 2008
- 792
-
A finite element-based level-set method of an interface motion driven by a diffusion field: Application to a phase transformation problemIwamoto, Takeshi / Cherkaoui, Mohammed / Busso, Esteban P. et al. | 2008
- 802
-
Structural characterization of Mg65Cu25Y10 metallic glass from ab initio molecular dynamicsGao, R. / Hui, X. / Fang, H.Z. / Liu, X.J. / Chen, G.L. / Liu, Z.K. et al. | 2008
- 807
-
New analytical model for local heat flux density in the mold in continuous casting of steelAlizadeh, Mostafa / Jenabali Jahromi, Ahmad / Abouali, Omid et al. | 2008
- 813
-
Effective elastic properties of interpenetrating phase compositesPoniznik, Z. / Salit, V. / Basista, M. / Gross, D. et al. | 2008
- 821
-
Buckling instability of double-wall carbon nanotubes conveying fluidWang, L. / Ni, Q. / Li, M. et al. | 2008
- 826
-
Experimental and numerical study of the elastic modulus vs temperature of debonded model materialsJoliff, Y. / Absi, J. / Huger, M. / Glandus, J.C. et al. | 2008
- 832
-
Influence of Ge content on formation of radiation defects in Si1−xGex solid solutionsAtabaev, I.G. / Matchanov, N.A. / Yusupov, A. / Saidov, D.Sh. / Saidov, M.S. et al. | 2008
- 835
-
Finite-element investigation of fracture behaviour in elastic–plastic film bonded to elastic substrateBelhouari, M. / Gouasmi, S. / Bachir Bouiadjra, B. / Achour, T. / Amiri, A. et al. | 2008
- 838
-
Erratum to: “Gas-phase reaction thermodynamics in preparation of pyrolytic carbon by propylene pyrolysis” [Comput. Mater. Sci. 40 (2007) 504–524]Deng, Juanli / Su, Kehe / Yao, Xiaoping / Wang, Xin / Zeng, Qingfeng / Cheng, Laifei / Xu, Yongdong / Zhang, Litong et al. | 2008
- IFC
-
IFC| 2008