4.5 Article

Atomistic modeling of thermodynamic equilibrium and polymorphism of iron

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

An infinite swapping approach to the rare-event sampling problem

Nuria Plattner et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Physics, Condensed Matter

Optimization of the magnetic potential for α-Fe

S. Chiesa et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2011)

Article Physics, Multidisciplinary

Anharmonicity and Quantum Effects in Thermal Expansion of an Invar Alloy

Toshihiko Yokoyama et al.

PHYSICAL REVIEW LETTERS (2011)

Article Physics, Multidisciplinary

Magnetic Bond-Order Potential for Iron

M. Mrovec et al.

PHYSICAL REVIEW LETTERS (2011)

Article Materials Science, Multidisciplinary

Magnetic cluster expansion model for bcc-fcc transitions in Fe and Fe-Cr alloys

M. Yu Lavrentiev et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Semi-empirical atomistic study of point defect properties in BCC transition metals

Par A. T. Olsson

COMPUTATIONAL MATERIALS SCIENCE (2009)

Article Physics, Multidisciplinary

Quenching of bcc-Fe from high to room temperature at high-pressure conditions: a molecular dynamics simulation

A. B. Belonoshko et al.

NEW JOURNAL OF PHYSICS (2009)

Article Materials Science, Multidisciplinary

Free energy of a ⟪110⟫ dumbbell interstitial defect in bcc Fe: Harmonic and anharmonic contributions

S. Chiesa et al.

PHYSICAL REVIEW B (2009)

Article Astronomy & Astrophysics

Interatomic potentials for simulating radiation damage effects in metals

Kai Nordlund et al.

COMPTES RENDUS PHYSIQUE (2008)

Article Materials Science, Multidisciplinary

Characterization of Fe potentials with respect to the stability of the bcc and fcc phase

Cemal Engin et al.

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2008)

Article Materials Science, Multidisciplinary

Magnetic tight binding and the iron-chromium enthalpy anomaly

Anthony T. Paxton et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

Large-scale simulation of the spin-lattice dynamics in ferromagnetic iron

Pui-Wai Ma et al.

PHYSICAL REVIEW B (2008)

Article Chemistry, Physical

BCCFe surface and cluster magnetism using a magnetic potential

P. Van Zwol et al.

SURFACE SCIENCE (2007)

Article Physics, Multidisciplinary

Shock waves in polycrystalline iron

Kai Kadau et al.

PHYSICAL REVIEW LETTERS (2007)

Article Computer Science, Interdisciplinary Applications

Core structure and Peierls potential of screw dislocations in alpha-Fe from first principles: cluster versus dipole approaches

Lisa Ventelon et al.

JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN (2007)

Article Materials Science, Multidisciplinary

Valence-dependent analytic bond-order potential for transition metals

Ralf Drautz et al.

PHYSICAL REVIEW B (2006)

Article Materials Science, Multidisciplinary

Two-band second moment model for transition metals and alloys

Graeme J. Ackland

JOURNAL OF NUCLEAR MATERIALS (2006)

Article Materials Science, Multidisciplinary

Molecular dynamics simulation of displacement cascades in α-Fe:: A critical review

L. Malerba

JOURNAL OF NUCLEAR MATERIALS (2006)

Article Chemistry, Physical

Embedded-atom potential for Fe and its application to self-diffusion on Fe(100)

H. Chamati et al.

SURFACE SCIENCE (2006)

Article Materials Science, Multidisciplinary

Thermodynamics of Fe-Cu alloys as described by a classic potential

A Caro et al.

JOURNAL OF NUCLEAR MATERIALS (2006)

Article Materials Science, Multidisciplinary

Self-interstitial atom defects in bcc transition metals: Group-specific trends

D Nguyen-Manh et al.

PHYSICAL REVIEW B (2006)

Article Physics, Condensed Matter

A 'magnetic' interatomic potential for molecular dynamics simulations

SL Dudarev et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2005)

Article Materials Science, Multidisciplinary

Magnetic properties of point defects in iron within the tight-binding-bond Stoner model

GQ Liu et al.

PHYSICAL REVIEW B (2005)

Article Instruments & Instrumentation

Stability and mobility of self-interstitials and small interstitial clusters in alpha-iron: ab initio and empirical potential calculations

F Willaime et al.

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS (2005)

Article Physics, Multidisciplinary

Stability and mobility of mono- and di-interstitials in α-Fe -: art. no. 175503

CC Fu et al.

PHYSICAL REVIEW LETTERS (2004)

Article Physics, Condensed Matter

Development of an interatomic potential for phosphorus impurities in α-iron

GJ Ackland et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2004)

Article Chemistry, Physical

Phase changes in selected Lennard-Jones X13-nYn clusters

D Sabo et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Materials Science, Multidisciplinary

Development of new interatomic potentials appropriate for crystalline and liquid iron

MI Mendelev et al.

PHILOSOPHICAL MAGAZINE (2003)

Article Materials Science, Multidisciplinary

Phase diagram of an empirical potential: The case of Fe-Cu

EM Lopasso et al.

PHYSICAL REVIEW B (2003)

Article Chemistry, Physical

Density functional theory study of the relaxation and energy of iron surfaces

MJS Spencer et al.

SURFACE SCIENCE (2002)

Article Multidisciplinary Sciences

Microscopic view of structural phase transitions induced by shock waves

K Kadau et al.

SCIENCE (2002)

Article Materials Science, Multidisciplinary

Modeling the metal-semiconductor interaction: Analytical bond-order potential for platinum-carbon

K Albe et al.

PHYSICAL REVIEW B (2002)

Article Materials Science, Multidisciplinary

Ab initio calculations of defects in Fe and dilute Fe-Cu alloys

C Domain et al.

PHYSICAL REVIEW B (2002)

Review Chemistry, Physical

Modeling of thermodynamic properties for Bcc, Fcc, liquid, and amorphous iron

Q Chen et al.

JOURNAL OF PHASE EQUILIBRIA (2001)

Article Materials Science, Multidisciplinary

Atomic scale structure of sputtered metal multilayers

XW Zhou et al.

ACTA MATERIALIA (2001)

Article Materials Science, Multidisciplinary

Second nearest-neighbor modified embedded atom method potentials for bcc transition metals

BJ Lee et al.

PHYSICAL REVIEW B (2001)

Article Physics, Multidisciplinary

The phase stability of ε-Fe alloys

M Acet et al.

JOURNAL DE PHYSIQUE IV (2001)

Article Materials Science, Multidisciplinary

Second nearest-neighbor modified embedded-atom-method potential

BJ Lee et al.

PHYSICAL REVIEW B (2000)

Article Materials Science, Multidisciplinary

Influence of the interatomic potentials on molecular dynamics simulations of displacement cascades

CS Becquart et al.

JOURNAL OF NUCLEAR MATERIALS (2000)

Article Chemistry, Physical

Finite-size corrections to the free energies of crystalline solids

JM Polson et al.

JOURNAL OF CHEMICAL PHYSICS (2000)

Article Materials Science, Multidisciplinary

First-principles formation energies of monovacancies in bcc transition metals

P Söderlind et al.

PHYSICAL REVIEW B (2000)