Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

First Principles Prediction of the Al-Li Phase Diagram

Journal Article · · Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science

Not provided.

Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States). Center for Nanoscale Materials (CNM)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC02-06CH11357
OSTI ID:
1981502
Journal Information:
Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science, Vol. 52, Issue 10; ISSN 1073-5623
Publisher:
ASM International
Country of Publication:
United States
Language:
English

References (52)

New Approaches to Alloy Development in the Al-Li System August 1981
The Evolution of Al-Li Base Products for Aerospace and Space Applications March 2012
Microstructure and mechanical behavior of spray-deposited High-Li Al-Li alloys May 1999
Yield characteristics of aluminium–lithium alloys September 1982
Studies of retrogression and reaging behavior in a 1441 Al-Li-Cu-Mg-Zr alloy December 2005
New evidence for GP zones in binary AlLi alloys February 1986
First-principles study of the formation of Guinier–Preston zones in Al–Cu alloys October 2004
A multidisciplinary approach to study precipitation kinetics and hardening in an Al-4Cu (wt. %) alloy August 2018
GP zones and precipitate morphology in aged Al-Mg alloys June 1996
On the nature of phase separation in a commercial aluminium-lithium alloy September 1996
Spinodal decomposition of Al-rich Al-Li alloys September 1989
Theoretical investigation of the precipitation of δ' in Al-Li February 1988
Decomposition and ordering processes involving thermodynamically first-order order → disorder transformations November 1989
Grain boundary precipitate free zones in Al-Li alloys February 1987
Effects of temperature on the fatigue crack growth of an Al-Li 8090 alloy with δ’ microstructure April 1997
On the σ′→σ transformation in AlLi alloys October 1983
The Al-Li (Aluminum-Lithium) system February 1984
Thermodynamic assessment of the Al–Li system October 2007
Computational Thermodynamics January 2007
Automating first-principles phase diagram calculations August 2002
Predicted hcp Ag-Al metastable phase diagram, equilibrium ground states, and precipitate structure February 2003
First-principles modelling of solid Ni–Rh (nickel–rhodium) alloys December 2015
First-principles investigation of the Cu–Ni, Cu–Pd, and Ni–Pd binary alloy systems February 2015
On the early stages of precipitation in dilute Mg–Nd alloys April 2016
Prediction of the Al-rich part of the Al-Cu phase diagram using cluster expansion and statistical mechanics August 2020
First-principles analysis of precipitation in Mg-Zn alloys September 2020
Equation of State Calculations by Fast Computing Machines June 1953
First-principles calculation of phase equilibria in the aluminum lithium system December 1990
First-principles calculation of the pressure dependence of phase equilibria in the Al-Li system March 1996
Formation of an ordered intermetallic phase from a disordered solid solution—A study using first-principles calculations in Al-Li alloys February 1997
Theoretical study of the thermodynamic properties of αδ′ interphase boundaries in AlLi October 1996
Ground state structural stability of ordered fcc- and bcc-based LiAl compounds under first and second nearest-neighbour pair approximation January 1996
Multiscale Modeling of Precipitate Microstructure Evolution March 2002
Multiscale modelling of the morphology and spatial distribution of θ′ precipitates in Al-Cu alloys June 2017
Predicting β′ precipitate morphology and evolution in Mg–RE alloys using a combination of first-principles calculations and phase-field modeling September 2014
Precipitation during high temperature aging of Al−Cu alloys: A multiscale analysis based on first principles calculations April 2019
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials September 2009
Advanced capabilities for materials modelling with Quantum ESPRESSO October 2017
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism April 1990
Generalized Gradient Approximation Made Simple October 1996
Methods for First-Principles Alloy Thermodynamics October 2013
First-Principles Statistical Mechanics of Multicomponent Crystals July 2018
Thermodynamics of the Zr-O system from first-principles calculations September 2013
Self-driven lattice-model Monte Carlo simulations of alloy thermodynamic properties and phase diagrams July 2002
Lattice dynamics of TiO2 rutile: influence of gradient corrections in density functional calculations October 2002
First principles phonon calculations in materials science November 2015
Connecting the Simpler Structures to Topologically Close-Packed Phases December 2018
Energy barrier of bcc-fcc phase transition via the Bain path in Yukawa system May 2018
Application of modern aluminum alloys to aircraft January 1996
Microstructural evolution during aging of an AlCuLiAgMgZr alloy May 1996
A new phase in the system lithium–aluminum: Characterization of orthorhombic Li2Al November 2010
Controlling Factors for the Formation of Guinier-Preston Zones in Al-Cu Alloys: An Atomistic Study January 2016