Modelling Microstructure in Casting of Steel via CALPHAD-Based ICME Approach
Alloys, 2023 Integrated computational materials engineering (ICME) is emerging as an increasingly powerful approach to integrate computational materials science tools into a holistic system and address the multiscale modeling challenges in the processing of advanced ...
Chunhui Luo +6 more
doaj +1 more source
First-principles study of ternary fcc solution phases from special quasirandom structures [PDF]
, 2007 In the present work, ternary Special Quasirandom Structures (SQSs) for a fcc solid solution phase are generated at different compositions, $x_A=x_B=x_C=\tfrac{1}{3}$ and $x_A=\tfrac{1}{2}$, $x_B=x_C=\tfrac{1}{4}$, whose correlation functions are ...
A. T. Dinsdale +15 more
core +2 more sources
Experimental study and thermodynamic modeling of the Al–Co–Cr–Ni system
Science and Technology of Advanced Materials, 2015 A thermodynamic database for the Al–Co–Cr–Ni system is built via the Calphad method by extrapolating re-assessed ternary subsystems. A minimum number of quaternary parameters are included, which are optimized using experimental phase equilibrium data ...
Thomas Gheno +4 more
doaj +1 more source
Assessment techniques, database design and software facilities for thermodynamics and diffusion [PDF]
, 2007 The purpose of this article is to give a set of recommendations to producers of assessed thermodynamic data, who may be involved in either the critical evaluation of limited chemical systems or the creation and dissemination of larger thermodynamic ...
A. Watson +56 more
core +4 more sources
ON PHASE DIAGRAM OF Au-Si NANOALLOY: MOLECULAR DYNAMICS AND THERMODYNAMIC SIMULATION
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2019 Phase diagrams for Au-Si nanoparticles were constructed by using molecular dynamics and thermodynamic simulation, based on the CALPHAD methodology extended to nanoscale objects.
I.V. Talyzin +4 more
doaj +1 more source
Formation and Thermal Stability of ω-Ti(Fe) in α-Phase-Based Ti(Fe) Alloys
Metals, 2020 In this work, the formation and thermal stability of the ω-Ti(Fe) phase that were produced by the high-pressure torsion (HPT) were studied in two-phase α-Ti + TiFe alloys containing 2 wt.%, 4 wt.% and 10 wt.% iron.
Mario J. Kriegel +7 more
doaj +1 more source
Unexpected spinodal decomposition in as-cast eutectic high entropy alloy Al30Co10Cr30Fe15Ni15
Materials & Design, 2023 By integrating calculation of phase diagram (CALPHAD) simulations, ab initio molecular dynamics (AIMD) and experimental validation, we shed light on the unexpected spinodal decomposition in as-cast Al30Co10Cr30Fe15Ni15 alloy, as opposed to the eutectic ...
Kewu Bai +12 more
doaj +1 more source
An approach to determine enthalpies of formation for ternary compounds [PDF]
Journal of Mining and Metallurgy. Section B: Metallurgy, 2010 An integrated approach of experiment and theoretical computation to acquire enthalpies of formation for ternary compounds is described. The enthalpies of formation (DHf ) for Al71Fe19Si10 and Al31Mn6Ni2 are measured via a calorimeter.
Du Y. +6 more
doaj +1 more source
Materials & Design, 2022 Multicomponent carbides have gained interest especially for ultra-high temperature applications, due to their ceramic hardness, good oxidation resistance and enhanced strength.
Barbara Osinger +5 more
doaj +1 more source
Semisolid processing characteristics of AM series Mg alloys by rheo-diecasting [PDF]
, 2006 The official published version of this Article can be found at the link below - Copyright @ 2006 ASM InternationalAn investigation has been made into the solidification behavior and microstructural evolution of AM50, AM70, and AM90 alloys during rheo ...
A. Das +22 more
core +1 more source