Lattice mismatch modeling of aluminum alloys

Shin, Dongwon; Roy, Shibayan; Watkins, Thomas R.; Shyam, Amit

doi:10.1016/j.commatsci.2017.06.021

Title: Lattice mismatch modeling of aluminum alloys

Authors:: Shin, Dongwon; Roy, Shibayan; Watkins, Thomas R.; Shyam, Amit

Publication Date:: 2017-10-01

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1550244

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Computational Materials Science

Additional Journal Information:: Journal Name: Computational Materials Science Journal Volume: 138 Journal Issue: C; Journal ID: ISSN 0927-0256

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

Citation Formats


                    Shin, Dongwon, Roy, Shibayan, Watkins, Thomas R., and Shyam, Amit. Lattice mismatch modeling of aluminum alloys.  Netherlands: N. p., 2017. 
Web.  doi:10.1016/j.commatsci.2017.06.021.

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                    Shin, Dongwon, Roy, Shibayan, Watkins, Thomas R., & Shyam, Amit. Lattice mismatch modeling of aluminum alloys.  Netherlands.  https://doi.org/10.1016/j.commatsci.2017.06.021

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                    Shin, Dongwon, Roy, Shibayan, Watkins, Thomas R., and Shyam, Amit. Sun .  
"Lattice mismatch modeling of aluminum alloys".  Netherlands.  https://doi.org/10.1016/j.commatsci.2017.06.021.

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@article{osti_1550244,

  title        = {Lattice mismatch modeling of aluminum alloys},

  author       = {Shin, Dongwon and Roy, Shibayan and Watkins, Thomas R. and Shyam, Amit},

  abstractNote = {},

  doi          = {10.1016/j.commatsci.2017.06.021},

  journal      = {Computational Materials Science},

  number       = C,

  volume       = 138,

  place        = {Netherlands},

  year         = {2017},

  month        = {10}

}

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https://doi.org/10.1016/j.commatsci.2017.06.021

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Title: Lattice mismatch modeling of aluminum alloys

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

Thermodynamic properties of binary hcp solution phases from special quasirandom structures journal, July 2006

Mechanical and structural properties of Al-Ni alloys rapidly quenched from the melt journal, April 1971

LVIII. X-ray study of aluminium-zinc alloys at elevated temperatures journal, November 1935

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Study on thermal expansion of intermetallics in multicomponent Al–Si alloys by high temperature X-ray diffraction journal, September 2010

Precipitate hardening in an aluminium-copper alloy journal, September 1961

A method for producing rapidly cooled liquid-quenched metal samples suitable for tensile testing journal, May 1970

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

The magic thicknesses of θ′ precipitates in Sn-microalloyed Al–Cu journal, January 2012

On the effective lattice parameter of binary alloys journal, January 2003

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Measured and calculated thermoelastic properties of supersaturated fcc Ni(Al) and Ni(Zr) solid solutions journal, June 1998

Lattice Parameters and Local Lattice Distortions in fcc-Ni Solutions journal, April 2007

Multiscale modeling of θ′ precipitation in Al–Cu binary alloys journal, June 2004

Precipitates and intermetallic phases in precipitation hardening Al–Cu–Mg–(Li) based alloys journal, August 2005

Lattice parameters and compositions of γ and γ′ during coarsening in the Ni-Al-Si system: A neutron powder diffraction study journal, March 1997

Chiefly on the Sub-Cooled Aluminium-Manganese Alloys (1st Report) [Al-Mn合金の強制固溶体について（第1報）] journal, January 1953

Die Konstitution der Mischkristalle und die Raumf�llung der Atome journal, January 1921

Calculation of density in a ternary system with a limited homogenous region using a geometric model journal, June 2005

On the modulated structure of aged Ni-Al alloys journal, October 1966

Structure of rapidly solidified aluminium-silicon alloys journal, December 1973

The ORNL beamline at the National Synchrotron Light Source journal, April 1988

Special quasirandom structures journal, July 1990

Grain boundary effects as a factor in heterogeneous equilibrium of alloy systems journal, May 1933

Thermal conductivity of Al–Cu–Mg–Si alloys: Experimental measurement and CALPHAD modeling journal, July 2016

Algebraic Representation of Thermodynamic Properties and the Classification of Solutions journal, February 1948

Lattice misfits in four binary Ni-Base γ/γ1 alloys at ambient and elevated temperatures journal, October 1996

Modeling of lattice parameter in the Ni-Al system journal, August 2004

Modeling of the molar volume of the solution phases in the Al–Cu–Mg system journal, December 2015

Crystal structure and stability of complex precipitate phases in Al–Cu–Mg–(Si) and Al–Zn–Mg alloys journal, September 2001

Splat Cooling of Aluminum-Silicon Alloys [Al-Si合金の超急冷凝固] journal, January 1973

The elastic accommodation of semicoherent θ′ in Al4wt.%Cu alloy journal, July 1978

Metastable solvus curves in Al-Zn alloys: Part 2 The transition phase journal, May 1981

The lattice parameters of austenite and ferrite in FeC alloys as functions of carbon concentration and temperature journal, October 1993

Thermodynamic models for crystalline phases. Composition dependent models for volume, bulk modulus and thermal expansion journal, March 2007

Entropically Favored Ordering: The Metallurgy of Al 2 Cu Revisited journal, June 2001

Precipitation in liquid-quenched Al-base Si journal, April 1973

Generalized Gradient Approximation Made Simple
journal, October 1996

Thermodynamic properties of binary hcp solution phases from special quasirandom structures
journal, July 2006

Mechanical and structural properties of Al-Ni alloys rapidly quenched from the melt
journal, April 1971

LVIII. X-ray study of aluminium-zinc alloys at elevated temperatures
journal, November 1935

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Study on thermal expansion of intermetallics in multicomponent Al–Si alloys by high temperature X-ray diffraction
journal, September 2010

Precipitate hardening in an aluminium-copper alloy
journal, September 1961

A method for producing rapidly cooled liquid-quenched metal samples suitable for tensile testing
journal, May 1970

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

The magic thicknesses of θ′ precipitates in Sn-microalloyed Al–Cu
journal, January 2012

On the effective lattice parameter of binary alloys
journal, January 2003

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Measured and calculated thermoelastic properties of supersaturated fcc Ni(Al) and Ni(Zr) solid solutions
journal, June 1998

Lattice Parameters and Local Lattice Distortions in fcc-Ni Solutions
journal, April 2007

Multiscale modeling of θ′ precipitation in Al–Cu binary alloys
journal, June 2004

Precipitates and intermetallic phases in precipitation hardening Al–Cu–Mg–(Li) based alloys
journal, August 2005

Lattice parameters and compositions of γ and γ′ during coarsening in the Ni-Al-Si system: A neutron powder diffraction study
journal, March 1997

Chiefly on the Sub-Cooled Aluminium-Manganese Alloys (1st Report) [Al-Mn合金の強制固溶体について（第1報）]
journal, January 1953

Die Konstitution der Mischkristalle und die Raumf�llung der Atome
journal, January 1921

Calculation of density in a ternary system with a limited homogenous region using a geometric model
journal, June 2005

On the modulated structure of aged Ni-Al alloys
journal, October 1966

Structure of rapidly solidified aluminium-silicon alloys
journal, December 1973

The ORNL beamline at the National Synchrotron Light Source
journal, April 1988

Special quasirandom structures
journal, July 1990

Grain boundary effects as a factor in heterogeneous equilibrium of alloy systems
journal, May 1933

Thermal conductivity of Al–Cu–Mg–Si alloys: Experimental measurement and CALPHAD modeling
journal, July 2016

Algebraic Representation of Thermodynamic Properties and the Classification of Solutions
journal, February 1948

Lattice misfits in four binary Ni-Base γ/γ1 alloys at ambient and elevated temperatures
journal, October 1996

Modeling of lattice parameter in the Ni-Al system
journal, August 2004

Modeling of the molar volume of the solution phases in the Al–Cu–Mg system
journal, December 2015

Crystal structure and stability of complex precipitate phases in Al–Cu–Mg–(Si) and Al–Zn–Mg alloys
journal, September 2001

Splat Cooling of Aluminum-Silicon Alloys [Al-Si合金の超急冷凝固]
journal, January 1973

The elastic accommodation of semicoherent θ′ in Al4wt.%Cu alloy
journal, July 1978

Metastable solvus curves in Al-Zn alloys: Part 2 The transition phase
journal, May 1981

The lattice parameters of austenite and ferrite in FeC alloys as functions of carbon concentration and temperature
journal, October 1993

Thermodynamic models for crystalline phases. Composition dependent models for volume, bulk modulus and thermal expansion
journal, March 2007

Entropically Favored Ordering: The Metallurgy of ${Al}_{2} Cu$ Revisited
journal, June 2001

Precipitation in liquid-quenched Al-base Si
journal, April 1973