Results 21 to 30 of about 31,740 (265)

Analysis of the influence of the solid and liquid phases on steel desulfurization with slags from the CaO–Al2O3 systems using computational thermodynamics

Journal of Materials Research and Technology, 2020
Normally, CaO is used in steel desulfurization in slags from the systems: CaO–CaF2, CaO–Al2O3, and CaO–SiO2. Among these, the CaO–CaF2 slags are more efficient.
Rodrigo de Oliveira Pezzin, Anna Paula Littig Berger, Felipe Fardin Grillo, Eduardo Junca, Henrique Silva Furtado, José Roberto de Oliveira   +5 more
doaj   +1 more source

Influence of process parameters, hot metal silicon content and slag properties on steel dephosphorization

Journal of Materials Research and Technology, 2021
During the process of dephosphorization, the main solid phases formed in slag are dicalcium silicate (2CaO.SiO2), tricalcium silicate (3CaO.SiO2) and tricalcium phosphate (3CaO.P2O5). The last one is the main responsible for phosphorous removal.
Raphael Mariano de Souza, Vinícios Andreatta, Inamara Amanda Souza Santos, Eduardo Junca, Felipe Fardin Grillo, José Roberto de Oliveira   +5 more
doaj   +1 more source

Thermodynamic Database for Mg Alloys—Progress in Multicomponent Modeling

Metals, 2012
Progress in systematic development of a thermodynamic database for Mg alloys with 21 components is reported. Models for multicomponent alloys are built in a methodical approach from quantitative descriptions of unary, binary and ternary subsystems. For a
Joachim Gröbner, Rainer Schmid-Fetzer
doaj   +1 more source

Coupling computational thermodynamics with density-function-theory based calculations to design L12 precipitates in FeNi based alloys

Materials & Design, 2020
Achieving a high-volume fraction of thermodynamically stable L12-type precipitates that are resistant to coarsening is of great importance for the development of low-cost FeNi based austenitic steels.
Ying Yang, German D. Samolyuk, Tianyi Chen, Jonathan D. Poplawsky, Andrew R. Lupini, Lizhen Tan, Littrell Ken   +6 more
doaj   +1 more source

Investigation of oxygen sources and subsequent thorium oxidation in the iridium DOP‐26 cladding material and PuO2 fuel system

Engineering Reports, 2020
Earlier experimental work on materials used in radioisotope thermoelectric generators (RTG) has shown that the Ir DOP‐26 cladding material experiences intensified grain growth due to the unpinning of grain boundaries and diffusion of thorium to the ...
Brian P. Franz, Michael V. Glazoff
doaj   +1 more source

Effect of Heterogeneity in Coal Ash Chemical Composition on the Onset of Conditions Favorable for Agglomeration in Fluid Beds

Energies, 2015
Ash agglomeration issues that arise due to the sticking of slag-wetted, colliding particles have been creating operational difficulties and monetary losses for the fluidized bed combustion (FBC) industry.
Aditi B. Khadilkar, Peter L. Rozelle, Sarma V. Pisupati   +2 more
doaj   +1 more source

Augmenting zero-Kelvin quantum mechanics with machine learning for the prediction of chemical reactions at high temperatures

Nature Communications, 2021
Computational material design often does not account for temperature effects. The present manuscript combines quantum-mechanics based calculations with a machine-learned correction to establish a unified thermodynamics framework for accurate prediction ...
Jose Antonio Garrido Torres, Vahe Gharakhanyan, Nongnuch Artrith, Tobias Hoffmann Eegholm, Alexander Urban   +4 more
doaj   +1 more source

Physical Intelligence and Thermodynamic Computing [PDF]

Entropy, 2017
This paper proposes that intelligent processes can be completely explained by thermodynamic principles. They can equally be described by information-theoretic principles that, from the standpoint of the required optimizations, are functionally equivalent. The underlying theory arises from two axioms regarding distinguishability and causality.
openaire   +3 more sources

Emerging experimental and computational methods for studying redox‐regulated structural transitions

FEBS Letters, EarlyView.
Redox reactions can reshape proteins and alter how they behave in cells, with important consequences for health and disease. This review explores emerging experimental and computational approaches for discovering these redox‐sensitive protein switches, revealing their structural effects, and predicting their behavior, opening new opportunities to ...
Tasneem Rass, Dana Reichmann, Gábor Erdős   +2 more
wiley   +1 more source

The heterodimeric amino acid transporters (HAT) of the SLC7/SLC3 family: A structure−function relationships and relevance to human pathology

FEBS Letters, EarlyView.
Heterodimeric amino acid transporters consist of SLC7 and SLC3 family proteins arranged in a conserved structural organization. They regulate nutrient transport across cell membranes, supporting essential cellular functions. These transporters also contribute to xenobiotic/drug uptake and distribution.
Mariafrancesca Scalise, Tiziano Mazza, Raffaella Scanga, Lara Console, Michele Galluccio, Cesare Indiveri   +5 more
wiley   +1 more source