Theoretical Investigation of Phase Equilibria for Metal-Hydrogen Alloy (original) (raw)

Theoretical investigation of Pd–H phase equilibria by the cluster variation method

哲夫 毛利

Journal of Alloys and Compounds, 2002

View PDFchevron_right

Modelling of phase equilibria in metal–hydrogen systems

Volodymyr Yartys

Journal of Alloys and Compounds, 2003

View PDFchevron_right

Theoretical studies of the effect of hydrogen–hydrogen interactions on the structural and dynamical properties of metal/hydrogen clusters

David Freeman

The Journal of Chemical Physics, 1998

View PDFchevron_right

Hydrogen-induced equilibrium vacancies in FCC iron-base alloys

V G Gavriljuk

Scripta Materialia, 1996

View PDFchevron_right

An Embedded-Atom Method Interatomic Potential for Pd-H Alloys

Bryan M Wong

Journal of Materials Research, 23, 704 (2008)

View PDFchevron_right

Phase transition and lattice expansion during hydrogen loading of nanometer sized palladium clusters

Manfred Reetz

Journal of Alloys and Compounds, 2003

View PDFchevron_right

A simple embedded atom potential for Pd-H alloys

Iyad Hijazi

Molecular Simulation, 2018

View PDFchevron_right

Cluster Variation Method as a Theoretical Tool for the Study of Phase Transformation

Tetsuo Mohri

Metallurgical and Materials Transactions A, 2017

View PDFchevron_right

Multiple defect model for non-monotonic structure relaxation in binary systems like Pd-Er alloys charged with hydrogen

Ihor Lubashevsky

arXiv (Cornell University), 2002

View PDFchevron_right

Theoretical Methods of Hydrogen Diffusion Calculation in Metals Review

Serhii Bobyr

View PDFchevron_right

On the theory of the interactions and phase transitions of hydrogen in the transition metals

Nada Zein

Journal of the Less Common Metals, 1984

View PDFchevron_right

Partial excess entropies of hydrogen in palladium alloys

Ted Flanagan

Metallurgical Transactions A, 1975

View PDFchevron_right

Phase equilibrium in \atom-vacancy\ alloy

David Fuks

1997

View PDFchevron_right

Hydrogen-induced rearrangements in Pd-rich alloys

Ted Flanagan

Journal of Alloys and Compounds, 1999

View PDFchevron_right

Exploring lattice defects in palladium and its alloys using dissolved hydrogen. Part I: Hydrogen solubility and its segregation to dislocations and vacancies

Ted Flanagan

Platinum Metals Review

View PDFchevron_right

Cluster model of the energy of vacancy formation in metals

josh pelleg

Physical Review B, 1994

View PDFchevron_right

Computational design of interstitial alloys: Effect of metal–interstitial interactions on atom distributions

Amarante Böttger

Computational Materials Science, 2009

View PDFchevron_right

The role of Al on the thermodynamics of hydrogen absorption/desorption by some ternary Pd–M–Al alloys where M=Rh, Ni, Pt, Cr, Ag

Ted Flanagan

Journal of Alloys and Compounds, 2003

View PDFchevron_right

Monte Carlo simulation of hydrogen absorption in palladium and palladium–silver alloys

Parasuraman Selvam

Catalysis Today, 2003

View PDFchevron_right

Cluster Expansions for Thermodynamics and Kinetics of Multicomponent Alloys

Marcel Sluiter

Journal of Phase Equilibria and Diffusion, 2015

View PDFchevron_right

First-principles study of vacancy-hydrogen interaction in Pd

D. Bazhanov

Physical Review B, 2009

View PDFchevron_right

Hydrogen in disordered and ordered palladium alloys☆

Ted Flanagan

International Journal of Hydrogen Energy, 1994

View PDFchevron_right

Attempt to predict hydrogen solubility limits in liquid multicomponent aluminum alloys

Dr. Prince Anyalebechi

Scripta Materialia, 1996

View PDFchevron_right

Thermodynamic modelling of hydrogen-multicomponent alloy systems: Calculating pressure-composition-temperature diagrams

Yannick Champion

Acta Materialia, 2021

View PDFchevron_right

Calculation of hydrogen solubility in molten alloys

诗玚 刘

View PDFchevron_right

Theoretical Studies of Hydrogen Storage Alloys

Hannes Jonsson

2012

View PDFchevron_right

Unified approach for cluster variation method calculations of phase diagrams in fcc substitutional alloys with interstitial species

Diana Nanu, Amarante Böttger

Physical Review B, 2006

View PDFchevron_right

Algebraic Analysis of Cluster Expansion Method and its Application to First-principles Calculations of Phase Equilibria

Tetsuo Mohri

Journal of The Japan Institute of Metals, 2004

View PDFchevron_right

Real Space Cluster Expansion for Total Energies of Pd-Rich PdX (X = Rh, Ru) Alloys, Based on Full-Potential KKR Calculations: An Approach from a Dilute Limit

Tetsuo Mohri

MATERIALS TRANSACTIONS, 2018

View PDFchevron_right

Fundamental Study of Hydrogen Segregation at Vacancy and Grain Boundary in Palladium

Tahir Cagin

2015

View PDFchevron_right

Detailed first-principles models of hydrogen permeation through PdCu-based ternary alloys

Liz Aranda Flecha

Journal of Membrane Science, 2010

View PDFchevron_right

Interaction between hydrogen and the alloying atom in palladium

D. Bazhanov

Physical Review B, 2007

View PDFchevron_right

Atomic displacements due to interstitial hydrogen in Cu and Pd

Hitesh Sharma

Pramana-journal of Physics, 2007

View PDFchevron_right