Results 31 to 40 of about 30,083 (262)

Thermodynamic Database for Mg Alloys—Progress in Multicomponent Modeling

open access: yesMetals, 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

Thermodynamics of glasses: a first principles computation [PDF]

open access: yesJournal of Physics: Condensed Matter, 1999
We propose a first principle computation of the thermodynamics of simple fragile glasses starting from the two body interatomic potential. A replica formulation translates this problem into that of a gas of interacting molecules, each molecule being built of $m$ atoms, and having a gyration radius (related to the cage size) which vanishes at zero ...
Mezard, Marc, Parisi, Giorgio
openaire   +3 more sources

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

open access: yesMaterials & 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   +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

open access: yesEngineering 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

open access: yesEnergies, 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   +2 more
doaj   +1 more source

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

open access: yesNature 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   +4 more
doaj   +1 more source

Use of computational thermodynamics software to determine the influence of CaO, FeO and SiO2 on hot metal dephosphorization efficiency

open access: yesJournal of Materials Research and Technology, 2020
The properties of the mixtures used in hot metal dephosphorization, such as solid and liquid fraction phases, CaO and FeO activity and viscosity, are determinant for the process efficiency. The influence of these properties on hot metal dephosphorization
Caio Vaccari Silva   +4 more
doaj   +1 more source

Landauer principle and thermodynamics of computation

open access: yesReports on Progress in Physics
Abstract According to the Landauer principle, any logically irreversible process accompanies entropy production, which results in heat dissipation in the environment. Erasing of information, one of the primary logically irreversible processes, has a lower bound on heat dissipated into the environment, called the Landauer bound (LB ...
Pritam Chattopadhyay   +3 more
openaire   +5 more sources

Brownian Computation Is Thermodynamically Irreversible [PDF]

open access: yesFoundations of Physics, 2013
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
openaire   +2 more sources

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