Results 51 to 60 of about 5,769 (231)
Computational thermodynamics and informational technologies in the field of computer design of materials [PDF]
Journal of Mining and Metallurgy. Section B: Metallurgy, 2002 Computational thermodynamics and informational technologies in the field of computer desing of materials as well as appliance of CALPHAD method on resolution of thermodynamic problems are presented in this paper.
Udovsky A.L.
doaj +1 more source
CALPHAD XXXIV 2005 conference summary [PDF]
Calphad, 2006 Abstract The thirty-fourth annual CALPHAD meeting was held at Kasteel Vaeshartelt, Maastricht, The Netherlands, on May 22–27, 2005. The local organizing committee consisted of Harry A.J. Oonk (chairman), Aad C.G. van Genderen, Michel H.G. Jacobs, Paul J.
openaire +3 more sources
Advanced Engineering Materials, EarlyView.A high interstital austenitic steel is additively manufactured and postdensified by HIP to eliminate gas porosity. Thereby, the loss of N and Mn in Ar HIP atmosphere is investigated. Further, HIP using N2 atmosphere is investigated which led to excessive nitride formation.
F. Großwendt +4 more
wiley +1 more source
BSTS synthesis guided by CALPHAD approach for phase equilibria and process optimization
Scientific Reports, 2023 This work presents a new method for processing single-crystal semiconductors designed by a computational method to lower the process temperature.
Husain F. Alnaser, Taylor D. Sparks
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Phase Diagrams Enable Solid‐State Battery Design
Advanced Materials Interfaces, EarlyView.Batteries are non‐equilibrium devices with inherent thermodynamic driving forces to react at interfaces, regardless of kinetics or operating conditions. Chemical potential mismatches across interfaces are dissipated via interfacial reactions. In this work, it is illustrated how phase diagrams and chemical potential maps predict degradation pathways but
Nathaniel L. Skeele, Matthias T. Agne
wiley +1 more source
The third generation Calphad description of Al-C including revisions of pure Al and C
, 2021 New descriptions of pure Al and liquid C were developed and used to describe the Al-C system for the third generation of Calphad databases. The stable phases of the elements are described with a single expression for the entire temperature range.
Kaplan, Bartek, +3 more
core +1 more source
Journal of Magnesium and Alloys, 2019 In this paper, a comprehensive understanding of stable and metastable phase equilibria in binary Mg-Gd system was conducted with an aid of the CALculation of PHAse Diagram (CALPHAD) modeling.
Huaijia Si +3 more
doaj +1 more source
Thermodynamics of Plutonium Monocarbide from Anharmonic and Relativistic Theory
Applied Sciences, 2020 Thermodynamics of plutonium monocarbide is studied from first-principles theory that includes relativistic electronic structure and anharmonic lattice vibrations. Density-functional theory (DFT) is expanded to include orbital-orbital coupling in addition
Per Söderlind +4 more
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Leveraging Mechanical Resonances for the Selection of Promising Materials in Complex Phase Spaces
Advanced Materials Technologies, EarlyView.A central challenge in materials science is the design of new functional materials with enhanced performance for targeted applications. This paper demonstrates that “listening” to materials through measuring their mechanical resonances is a rich, and largely untapped, platform for the rapid identification of promising novel compounds and a powerful ...
Christopher A. Mizzi +4 more
wiley +1 more source
Thermodynamic calculation of phase diagrams for Al-C-X（X=Mo，Nb，Ta，V）
Cailiao gongchengThe Al-C-X（X=Mo，Nb，Ta，V） systems are studied by CALPHAD （calculation of phase diagrams） coupled with first-principles calculations. Two ternary phases，Ta5Al3C and Ta2AlC are identified in the Al-C-Ta system.
SHI Chuang +6 more
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