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Extended variational cluster approximation for correlated systemsTONG, Ning-Hua.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 11, pp 115104.1-115104.21, issn 1098-0121Article

First-principles calculations for point-defect energies in metals and phase diagrams of binary alloysASATO, M; MIZUNO, T; HOSHINO, T et al.Materials science & engineering. A, Structural materials : properties, microstructure and processing. 2001, Vol 312, Num 1-2, pp 72-76, issn 0921-5093Article

Thermodynamic self-consistency issues related to the Cluster Variation Method : The case of the BCC Cr-Fe (Chromium-Iron) systemINDEN, Gerhard; SCHÖN, Claudio Geraldo.Calphad. 2008, Vol 32, Num 4, pp 661-668, issn 0364-5916, 8 p.Article

Computational design of interstitial alloys : Effect of metal-interstitial interactions on atom distributionsPEKELHARING, Marjon I; BÖTTGER, Amarante J.Computational materials science. 2009, Vol 45, Num 2, pp 561-567, issn 0927-0256, 7 p.Article

Phase field calculations with CVM free energy for a disorder-B2 transitionOHNO, Munekazu; MOHRI, Tetsuo.Materials science & engineering. A, Structural materials : properties, microstructure and processing. 2001, Vol 312, Num 1-2, pp 50-56, issn 0921-5093Article

Application of the cluster/site approximation to fcc phases in Ni-Al-Cr systemCAO, W; ZHU, J; YANG, Y et al.Acta materialia. 2005, Vol 53, Num 15, pp 4189-4197, issn 1359-6454, 9 p.Article

A MD-based method to calculate free energy for crystalline structures: from basic theory to applicationLONG, Y; CHEN, J; LIU, Y. G et al.Journal of physics. A, Mathematical and theoretical (Print). 2010, Vol 43, Num 45, issn 1751-8113, 455002.1-455002.16Article

The mathematical structure of the approximate linear response relationYASUDA, Muneki; TANAKA, Kazuyuki.Journal of physics. A, Mathematical and theoretical (Print). 2007, Vol 40, Num 33, pp 9993-10007, issn 1751-8113, 15 p.Article

First principles calculation of L21+A2 coherent equilibria in the Fe―Al―Ti systemALONSO, Paula R; GARGANO, Pablo H; RAMIREZ-CABALLERO, Gustavo E et al.Physica. B, Condensed matter. 2009, Vol 404, Num 18, pp 2845-2847, issn 0921-4526, 3 p.Conference Paper

Calculation of phase diagrams for the order-disorder transition in the binary systems Ni-Fe and Ni-AlCENEDESE, P; MARTY, A; CALVAYRAC, Y et al.Journal de physique (Paris). 1989, Vol 50, Num 16, pp 2193-2200, issn 0302-0738, 8 p.Article

Ab initio calculation of the BCC Fe―Al―Mo (Iron―Aluminum―Molybdenum) phase diagram: Implications for the nature of the τ2 phaseSODRE, Ney; GONZALES-ORMENO, Pablo Guillermo; PETRILLI, Helena Maria et al.Calphad. 2009, Vol 33, Num 3, pp 576-583, issn 0364-5916, 8 p.Article

Combined ab initio/CALPHAD modeling of fcc-based phase-equilibria in the Ir-Nb systemABE, Taichi; YING CHEN; YAMABE-MITARAI, Yoko et al.Calphad. 2008, Vol 32, Num 2, pp 353-360, issn 0364-5916, 8 p.Article

An improved CVM entropy functional for binary fcc alloysJINDAL, Vikas; NAGESWARA SARMA, B; LELE, Shrikant et al.Computational materials science. 2014, Vol 84, pp 129-133, issn 0927-0256, 5 p.Article

Cluster variation investigation of phase equilibria in Fe-Co system using simulated annealing approachTIWARY, Pratyush; GHOSH, Swapan K.Computational materials science. 2007, Vol 39, Num 4, pp 788-793, issn 0927-0256, 6 p.Article

First-principles study of short range order and instabilities in Au-Cu, Au-Ag and Au-Pd alloysMOHRI, T; TERAKURA, K; TAKIZAWA, S et al.Acta metallurgica et materialia. 1991, Vol 39, Num 4, pp 493-501, issn 0956-7151, 9 p.Article

On the convergence of Kikuchi's natural iteration methodPRETTI, Marco.Journal of statistical physics. 2005, Vol 119, Num 3-4, pp 659-675, issn 0022-4715, 17 p.Article

Short-range order, atomic displacements and effective interatomic ordering energies in TiN0.82PRIEM, T; BEUNEU, B; DE NOVION, C. H et al.Journal de physique (Paris). 1989, Vol 50, Num 16, pp 2217-2242, issn 0302-0738, 26 p.Article

Effect of external magnetic field on the bound state between the localized and conduction electrons in Anderson-Holstein modelNARASIMHA RAJU CHEBROLU; CHATTERJEE, Ashok.Physica. B, Condensed matter. 2014, Vol 448, pp 207-209, issn 0921-4526, 3 p.Conference Paper

Multicritical phase diagrams of the ferromagnetic spin-3 2 Blume-Emery-Griffiths model with repulsive biquadratic coupling including metastable phases: The cluster variation method and the path probability method with the point distributionKESKIN, Mustafa; CANKO, Osman.Journal of magnetism and magnetic materials. 2008, Vol 320, Num 1-2, pp 8-24, issn 0304-8853, 17 p.Article

Multicritical behavior of the antiferromagnetic Blume-Emery-Griffiths model with the repulsive biquadratic coupling in an external magnetic fieldERDINC, Ahmet; CANKO, Osman; KESKIN, Mustafa et al.Journal of magnetism and magnetic materials. 2006, Vol 301, Num 1, pp 6-12, issn 0304-8853, 7 p.Article

First-principles calculation of L10-disorder phase equilibria for Fe-Ni systemMOHRI, Tetsuo; YING CHEN; JUFUKU, Yu et al.Calphad. 2009, Vol 33, Num 1, pp 244-249, issn 0364-5916, 6 p.Article

Thermodynamics of orderingINDEN, G.Scandinavian journal of metallurgy. 1991, Vol 20, Num 1, pp 112-120, issn 0371-0459, 9 p.Article

The relationship between Plefka's expansion and the cluster variation methodYASUDA, Muneki; TANAKA, Kazuyuki.Journal of the Physical Society of Japan. 2006, Vol 75, Num 8, issn 0031-9015, 084006.1-084006.8Article

Application of the cluster/site approximation to the calculation of multicomponent alloy phase diagramsCAO, W; CHANG, Y. A; ZHU, J et al.Acta materialia. 2005, Vol 53, Num 2, pp 331-335, issn 1359-6454, 5 p.Article

Scalar-product cluster variation method layer formulation for the irregular tetrahedron cluster in bcc latticesSCHÖN, Claudio Geraldo; KIKUCHI, Rvoichi.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 9, pp 094101.1-094101.10, issn 1098-0121Article

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