Results 31 to 40 of about 4,338 (236)

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, Chee Koon Ng, Ming Lin, Baisong Cheng, Yingzhi Zeng, Delvin Wuu, Jing Jun Lee, Siew Lang Teo, Si Rong Ng, Dennis Cheng Cheh Tan, Pei Wang, Zachary Aitken, Yong-Wei Zhang   +12 more
doaj   +1 more source

Stacking fault energy prediction for austenitic steels: thermodynamic modeling vs. machine learning

Science and Technology of Advanced Materials, 2020
Stacking fault energy (SFE) is of the most critical microstructure attribute for controlling the deformation mechanism and optimizing mechanical properties of austenitic steels, while there are no accurate and straightforward computational tools for ...
Xin Wang, Wei Xiong
doaj   +1 more source

Investigation of the phase formation in magnetron sputtered hard multicomponent (HfNbTiVZr)C coatings

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, Huahai Mao, Stefan Fritze, Lars Riekehr, Ulf Jansson, Erik Lewin   +5 more
doaj   +1 more source

MOLTSA: An R Shiny Platform for Molten-Salt Thermochemical Data Management, Analysis, and Assessment

Journal of Open Research Software
MOLTSA (a portmanteau of molten salt) is an R-based, browser-accessible software platform for molten salt thermodynamics that integrates data access, visualization, and model evaluation to support thermochemical assessments.
Jack A. Wilson, Roy E. Wilson, Lianna M. Eaton, Emma L. Baker, Zachary K. Gardiner, Jorge Paz Soldan Palma, Juliano Schorne-Pinto, Pandu Wisesa, Theodore M. Besmann   +8 more
doaj   +1 more source

Interface between quantum-mechanical-based approaches, experiments, and CALPHAD methodology

, 2007
The increased application of quantum-mechanical-based methodologies to the study of alloy stability has required a re-assessment of the field. The focus is mainly on inorganic materials in the solid state.
Scott, Andrew, Ohno, M., Munekazu Ohno, Pisch, A., Zhang, W.,, Larry Kaufman, Fries, Suzana G., Abrikosov, I., Rao Manga, V.,, Pisch, Alexander, Turchi, Patrice E. A., Burton, Benjamin, Manga, V., Korzhavyi, P., Grimvall, G., Andrew Scott, Suzana G. Fries, Abrikosov, Igor,, Fries, S., Benjamin Burton, Ohno, Munekazu, Scott, A., Alexander Pisch, Scott, A.,, Abrikosov, Igor A., Zhang, Wenqing, Kaufman, L., Manga, V. Rao, Zhang, W., Kaufman, Larry, Patrice E.A. Turchi, Kaufman, L.,, Korzhavyi, Pavel,, Manga, V. R., Igor A. Abrikosov, Göran Grimvall, Pisch, A.,, Pavel Korzhavyi, V. Rao Manga, Turchi, P., Fries, S.G.,, Burton, B., Korzhavyi, P.A.,, Burton, B.,, Ohno, M.,, Grimvall, Göran,, Turchi, P. E. A., Wenqing Zhang, Turchi, P.E.A.,, Grimvall, G.,   +49 more
core   +1 more source

Development of a CALPHAD Thermodynamic Database for Pu-U-Fe-Ga Alloys

Applied Sciences, 2019
The interaction of actinides and actinide alloys such as the δ-stabilized Pu-Ga alloy with iron is of interest to understand the impurity effects on phase stability.
Emily E. Moore, Patrice E.A. Turchi, Alexander Landa, Per Söderlind, Benoit Oudot, Jonathan L. Belof, Stephen A. Stout, Aurélien Perron   +7 more
doaj   +1 more source

Design and characterization of a novel lightweight multicomponent alloy Al58Zn28Mg6Si8

Journal of Materials Research and Technology, 2023
This paper presents a novel multicomponent alloy Al58Zn28Mg6Si8, with a density of 3.46 g/cm3, which incorporates concepts from high entropy alloys. The optimum alloy composition was determined using the CALPHAD approach and binary and ternary diagrams ...
J.J. Trujillo-Tadeo, Gurutze Arruebarrena, H.J. Dorantes-Rosales, Yoana Bilbao, Iban Vicario, Teresa Guraya, Iñaki Hurtado   +6 more
doaj   +1 more source

A critical test of ab initio and CALPHAD methods : The structural energy difference between bcc and hcp molybdenum

, 2005
Ab initio calculations of the enthalpy of formation of bcc, fcc, and hcp Ru–Mo alloys have been performed for random, ordered, and partially ordered structures.
Shallcross, Sam,, Kaufman, L.,, Meded, V.,, Abrikosov, Igor A.,, Kissavos, Andreas E.,   +4 more
core   +1 more source

Innovative Processing of Compacted Waste Aluminum Alloy Powders via Controlled Remelting and Solidification

Advanced Engineering Materials, EarlyView.
This study demonstrates an efficient recycling route for out‐of‐spec AlSi10Mg atomized powders through compaction and arc remelting followed by suction casting. By correlating compaction load, cooling rate, and resulting microstructure, we show that intermediate pressures (50–80 kN) and rapid cooling refine dendrites, reduce porosity, and enhance ...
Mila Christy de Oliveira, Marcella Gaute Cavalcante Xavier, Abdoul‐Aziz Bogno, Piter Gargarella, José Eduardo Spinelli   +4 more
wiley   +1 more source

CALPHAD : Method for calculation of finite temperature thermodynamic properties for magnetic allotropes-Case study on Fe, Co and Ni

, 2021
A method for calculation of finite temperature thermodynamic properties for magnetic allotropes has been developed. The developed method is based on quasi-harmonic approximations using the Debye-Gruneisen model.
Ruban, Andrei V.,, Haglöf, Fredrik,, Selleby, Malin,, Blomqvist, Andreas,   +3 more
core   +1 more source