skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Ab initio calculation of thermal expansion with application to understanding Invar behavior in gum metal

Journal Article · · Physical Review Materials

Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02-05-CH11231
OSTI ID:
1458592
Journal Information:
Physical Review Materials, Journal Name: Physical Review Materials Vol. 2 Journal Issue: 7; ISSN 2475-9953
Publisher:
American Physical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 3 works
Citation information provided by
Web of Science

References (36)

The deformation of Gum Metal through in situ compression of nanopillars journal April 2010
Generalized Gradient Approximation Made Simple journal October 1996
LXXXII. On the thermal expansion of solids at low temperatures journal July 1955
Hashin‐Shtrikman bounds on the effective elastic moduli of polycrystals with orthorhombic symmetry journal October 1979
Effective thermal expansion coefficients and specific heats of composite materials journal February 1970
“Ideal” Engineering Alloys journal March 2007
The Anomaly of the Nickel-Steels journal December 1919
Thin Film Materials book July 2010
Anharmonicity in Noble Metals: Some Thermal Properties journal January 1967
Phonons and phase stability in Ti-V approximants to gum metal journal April 2012
Anomalous transformation-induced deformation in 〈110〉 textured Gum Metal journal May 2010
Charting the complete elastic properties of inorganic crystalline compounds journal March 2015
Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows journal November 2017
Ideal tensile and shear strength of a gum metal approximant: Ab initio density functional calculations journal January 2012
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
What is the Limit of Nanoparticle Strengthening? journal March 2009
Multifunctional Alloys Obtained via a Dislocation-Free Plastic Deformation Mechanism journal April 2003
Third-Order Elastic Constants and the Velocity of Small Amplitude Elastic Waves in Homogeneously Stressed Media journal March 1964
The Elastic Behaviour of a Crystalline Aggregate journal May 1952
Structural Relationship between Negative Thermal Expansion and Quartic Anharmonicity of Cubic ScF 3 journal November 2011
Pronounced Negative Thermal Expansion from a Simple Structure: Cubic ScF 3 journal November 2010
Nanodomain structure and its effect on abnormal thermal expansion behavior of a Ti–23Nb–2Zr–0.7Ta–1.2O alloy journal August 2013
On the mechanism of superelasticity in Gum metal journal February 2009
Ab initiomolecular dynamics for liquid metals journal January 1993
Bounds and self-consistent estimates for the overall properties of anisotropic composites journal June 1977
On the process of transition of the cubic-body-centered modification into the hexagonal-close-packed modification of zirconium journal May 1934
High-precision sampling for Brillouin-zone integration in metals journal August 1989
Invar-type effect induced by cold-rolling deformation in shape memory alloys journal June 2002
Negative thermal expansion of ScF 3 : Insights from density-functional molecular dynamics in the isothermal-isobaric ensemble journal December 2015
Temperature-induced martensitic phase transitions in gum-metal approximants: First-principles investigations for Ti 3 Nb journal August 2011
Negative thermal expansion journal January 2005
Anomalous Thermal Expansion in α -Titanium journal July 2007
New intrinsic mechanism on gum-like superelasticity of multifunctional alloys journal July 2013
Elastic properties of β, α ′′ and ω metastable phases in Ti–Nb alloy from first-principles journal November 2007
Generalized Grüneisen Parameters in the Anisotropic Debye Model journal March 1965
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis journal February 2013