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Results: 1-14 |
Results: 14
MONTE-CARLO AND HYBRID MONTE-CARLO MOLECULAR-DYNAMICS APPROACHES TO ORDER-DISORDER IN ALLOYS, OXIDES, AND SILICATES
Authors: PURTON JA BARRERA GD ALLAN NL BLUNDY JD
Citation: Ja. Purton et al., MONTE-CARLO AND HYBRID MONTE-CARLO MOLECULAR-DYNAMICS APPROACHES TO ORDER-DISORDER IN ALLOYS, OXIDES, AND SILICATES, JOURNAL OF PHYSICAL CHEMISTRY B, 102(26), 1998, pp. 5202-5207
HYBRID MONTE-CARLO AND LATTICE-DYNAMICS SIMULATIONS - THE ENTHALPY OFMIXING OF BINARY OXIDES
Authors: PURTON JA BLUNDY JD TAYLOR MB BARRERA GD ALLAN NL
Citation: Ja. Purton et al., HYBRID MONTE-CARLO AND LATTICE-DYNAMICS SIMULATIONS - THE ENTHALPY OFMIXING OF BINARY OXIDES, Chemical communications, (5), 1998, pp. 627-628
THERMODYNAMICS AND MECHANISM OF THE B1-B2 PHASE-TRANSITION IN GROUP-IHALIDES AND GROUP-II OXIDES
Authors: SIMS CE BARRERA GD ALLAN NL MACKRODT WC
Citation: Ce. Sims et al., THERMODYNAMICS AND MECHANISM OF THE B1-B2 PHASE-TRANSITION IN GROUP-IHALIDES AND GROUP-II OXIDES, Physical review. B, Condensed matter, 57(18), 1998, pp. 11164-11172
LITHIUM-OXIDE AND SUPERIONIC BEHAVIOR - A STUDY USING POTENTIALS FROMPERIODIC AB-INITIO CALCULATIONS
Authors: FRACCHIA RM BARRERA GD ALLAN NL BARRON THK MACKRODT WC
Citation: Rm. Fracchia et al., LITHIUM-OXIDE AND SUPERIONIC BEHAVIOR - A STUDY USING POTENTIALS FROMPERIODIC AB-INITIO CALCULATIONS, Journal of physics and chemistry of solids, 59(3), 1998, pp. 435-445
SHELL - A CODE FOR LATTICE-DYNAMICS AND STRUCTURE OPTIMIZATION OF IONIC-CRYSTALS
Authors: TAYLOR MB BARRERA GD ALLAN NL BARRON THK MACKRODT WC
Citation: Mb. Taylor et al., SHELL - A CODE FOR LATTICE-DYNAMICS AND STRUCTURE OPTIMIZATION OF IONIC-CRYSTALS, Computer physics communications, 109(2-3), 1998, pp. 135-143
FREE-ENERGY OF FORMATION OF DEFECTS IN POLAR SOLIDS
Authors: TAYLOR MB BARRERA GD ALLAN NL BARRON THK MACKRODT WC
Citation: Mb. Taylor et al., FREE-ENERGY OF FORMATION OF DEFECTS IN POLAR SOLIDS, Faraday discussions, (106), 1997, pp. 377-387
FREE-ENERGY DERIVATIVES AND STRUCTURE OPTIMIZATION WITHIN QUASI-HARMONIC LATTICE-DYNAMICS
Authors: TAYLOR MB BARRERA GD ALLAN NL BARRON THK
Citation: Mb. Taylor et al., FREE-ENERGY DERIVATIVES AND STRUCTURE OPTIMIZATION WITHIN QUASI-HARMONIC LATTICE-DYNAMICS, Physical review. B, Condensed matter, 56(22), 1997, pp. 14380-14390
IONIC SOLIDS AT ELEVATED-TEMPERATURES AND HIGH-PRESSURES - MGF2
Authors: BARRERA GD TAYLOR MB ALLAN NL BARRON THK KANTOROVICH LN MACKRODT WC
Citation: Gd. Barrera et al., IONIC SOLIDS AT ELEVATED-TEMPERATURES AND HIGH-PRESSURES - MGF2, The Journal of chemical physics, 107(11), 1997, pp. 4337-4344
SIMULATION OF METALS AND ALLOYS USING QUASI-HARMONIC LATTICE-DYNAMICS
Authors: BARRERA GD DETENDLER RH
Citation: Gd. Barrera et Rh. Detendler, SIMULATION OF METALS AND ALLOYS USING QUASI-HARMONIC LATTICE-DYNAMICS, Computer physics communications, 105(2-3), 1997, pp. 159-168
THE STABILITY OF POLYMORPHS OF MGCL2 - AN AB-INITIO STUDY
Authors: BARRERA GD ALLAN NL SORIANO MR
Citation: Gd. Barrera et al., THE STABILITY OF POLYMORPHS OF MGCL2 - AN AB-INITIO STUDY, Chemical physics letters, 278(4-6), 1997, pp. 267-271
QUASI-HARMONIC LATTICE-DYNAMICS OF BODY-CENTERED-CUBIC METALS
Authors: ISOARDI EP BARBIRIC DA BARRERA GD
Citation: Ep. Isoardi et al., QUASI-HARMONIC LATTICE-DYNAMICS OF BODY-CENTERED-CUBIC METALS, Computers & chemistry, 19(2), 1995, pp. 113-120
THE INTERSTITIAL ELECTRON MODEL FOR METALS - A CRITICAL-APPRAISAL
Authors: BARRERA GD ALLAN NL BARRON THK
Citation: Gd. Barrera et al., THE INTERSTITIAL ELECTRON MODEL FOR METALS - A CRITICAL-APPRAISAL, Journal of physics. Condensed matter, 6(29), 1994, pp. 5609-5620
LATTICE-DYNAMICS, THERMAL-EXPANSION, AND 3RD-ORDER ELASTIC-CONSTANTS OF SEMINOBLE METALS
Authors: BARRERA GD BATANA A
Citation: Gd. Barrera et A. Batana, LATTICE-DYNAMICS, THERMAL-EXPANSION, AND 3RD-ORDER ELASTIC-CONSTANTS OF SEMINOBLE METALS, Physica status solidi. b, Basic research, 179(1), 1993, pp. 59-75
THERMAL-EXPANSION AND 3RD-ORDER ELASTIC-CONSTANTS OF FCC METALS
Authors: BARRERA GD BATANA A
Citation: Gd. Barrera et A. Batana, THERMAL-EXPANSION AND 3RD-ORDER ELASTIC-CONSTANTS OF FCC METALS, Computers & chemistry, 17(1), 1993, pp. 83-90
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