Results 41 to 50 of about 11,520 (212)

First principle energies of binary and ternary phases of the Fe–Nb–Ni–Cr system [PDF]

, 2011
We present first principles enthalpies of formation and lattice parameters of iron, nickel, chromium and niobium alloys. Some of these results have been partially used in a recent assessment of the Fe–Ni–Cr–Nb quaternary phase diagram.
Connétable, Damien, Lacaze, Jacques, Mathon, Muriel   +2 more
core   +4 more sources

Thermodynamic Assessment of Ti-Al-Fe-V Quaternary System Applied to Novel Titanium Alloys Designing

Metals, 2022
The Ti-Al-Fe-V quaternary system is a very useful system for titanium alloy development. However, there are few reports on the thermodynamic description of this system.
Qisheng Feng, Baohua Duan, Lu Mao, Lina Jiao, Guangyao Chen, Xionggang Lu, Chonghe Li   +6 more
doaj   +1 more source

Thermodynamics of the Mg-B system: Implications for the deposition of MgB2 thin films

, 2001
We have studied thermodynamics of the Mg-B system with the modeling technique CALPHAD using a computerized optimization procedure. Temperature-composition, pressure-composition, and pressure-temperature phase diagrams under different conditions are ...
Li, Qi, Liu, Zi-Kui, Schlom, D. G., Xi, X. X.   +3 more
core   +1 more source

The Influence of the effect of solute on the thermodynamic driving force on grain refinement of Al alloys [PDF]

, 2014
Grain refinement is known to be strongly affected by the solute in cast alloys. Addition of some solute can reduce grain size considerably while others have a limited effect.
A. Cibula, A.L. Greer, A.T. Dinsdale, B.S. Murty, D.A. Porter, D.G. McCartney, D.H. StJohn, D.H. StJohn, D.H. StJohn, Dong Qiu, E Clouet, F. Wang, F. Wang, F. Wang, Feng Wang, H. Feufel, H. Fredriksson, I. Maxwell, I. Ohnuma, J. Grobner, J. Grobner, J.A. Dantzig, J.A. Marcantonio, J.A. Spittle, J.H. Perepezko, J.O. Andersson, John A. Taylor, K. Keslioglu, L. Battezzati, M. Glicksman, M. Gunduz, M. Gunduz, M. Johnsson, M. Johnsson, M. Johnsson, M. Qian, M.A. Easton, M.A. Easton, M.A. Easton, M.A. Easton, M.A. Easton, M.D. Eborall, M.J. Bermingham, M.M. Guzowski, Mark A. Easton, Ming-Xing Zhang, N. Eustathopoulos, N. Marasli, N. Saunders, N. Saunders, N. Saunders, P. Liang, P.S. Mohanty, S. Engin, S.-W. Chen, S.L. Chen, T. Wang, T.E. Quested, U.R. Kattner, V.T. Witusiewicz, W. Kurz, Zhi-Lin Liu   +61 more
core   +2 more sources

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

First-principles calculation of phase equilibrium of V-Nb, V-Ta, and Nb-Ta alloys [PDF]

, 2012
In this paper, we report the calculated phase diagrams of V-Nb, V-Ta, and Nb-Ta alloys computed by combining the total energies of 40–50 configurations for each system (obtained using density functional theory) with the cluster expansion and Monte Carlo ...
Panigrahi, B. K., Ravi, C., Valsakumar, M. C., van de Walle, Axel   +3 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

A Thermodynamic 3D Model for the Simulation of Diffusion‐Controlled Alloying Processes in Heterogeneous Material Structures

Advanced Engineering Materials, EarlyView.
A numerical model resulting from irreversible thermodynamics for describing transport processes is introduced, focusing on thermodynamic activity gradients as the actual driving force for diffusion. Implemented in CUDA C++ and using CalPhaD methods for determining the necessary activity data, the model accurately simulates interdiffusion in aluminum ...
Ulrich Holländer, Leonhard Holländer, André Langohr, Hans Jürgen Maier   +3 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
doaj   +1 more source

Phase stability of hafnium oxide and zirconium oxide on silicon substrate

, 2007
Phase stabilities of Hf-Si-O and Zr-Si-O have been studied with first-principles and thermodynamic modeling. From the obtained thermodynamic descriptions, phase diagrams pertinent to thin film processing were calculated.
Cho, Copel, Dongwon Shin, Ellison, Fries, Gueneau, Gutowski, Hallstedt, Hubbard, Kresse, Kresse, Miyata, Perdew, Saunders, Shin, Takahashi, Takahashi, Wang, Wang, Wilk, Wolverton, Zi-Kui Liu   +21 more
core   +1 more source