Results 271 to 280 of about 3,006,412 (323)

A Thermodynamic Cycle‐Based Electrochemical Windows Database of 308 Electrolyte Solvents for Rechargeable Batteries

Advanced Functional Materials, 2023
Rational design of wide electrochemical window (ECW) electrolytes to pair with high‐voltage cathodes is an emerging trend to push the energy density limits of current rechargeable batteries.
Da Wang, Tingting He, Aiping Wang, Kai Guo, M. Avdeev, C. Ouyang, Liquan Chen, Siqi Shi   +7 more
semanticscholar   +1 more source

FY20 Status report on the Molten Salt Thermodynamic Database (MSTDB) development

, 2020
The current status of the Molten Salt Thermodynamic Database (MSTDB) is reported. While a series of informational exchange meetings with Moten Salt Reactor (MSR) developers has given the NEAMS program insight into the systems of interest, the current ...
J. Ard, Kaitlin E. Johnson, M. Christian, J. Schorne pinto, J. Yingling, T. Besmann, J. Mcmurray, Jian Peng   +7 more
semanticscholar   +1 more source

The thermodynamic database malt

Calphad, 1999
The objectives of the development of the thermodynamic database MALT are described together with its main characteristic features. The database, which contains about 5000 species, also composes software for calculation of chemical equilibria and construction of generalized chemical potential diagrams.
Harumi Yokokawa, Shigeru Yamauchi, Takafumi Matsumoto   +2 more
openaire   +1 more source

ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification: application to Cu–Mg

MRS Communications, 2019
The software package ESPEI has been developed for efficient evaluation of thermodynamic model parameters within the CALPHAD method. ESPEI uses a linear fitting strategy to parameterize Gibbs energy functions of single phases based on their thermochemical
B. Bocklund, R. Otis, A. Egorov, A. Obaied, I. Roslyakova, Zi-kui Liu   +5 more
semanticscholar   +1 more source

An approach for screening single phase high-entropy alloys using an in-house thermodynamic database

Intermetallics (Barking), 2018
A new screening methodology is proposed to aid in the development of high-entropy alloys (HEAs). This approach takes into account three commonly used criteria and methods to guide the design of HEAs: empirical parameters, binary phase diagram inspection ...
A. J. Tapia, Dami Yim, Hyoung-Seop Kim, Byeong-Joo Lee   +3 more
semanticscholar   +1 more source

THEREDA - Thermodynamic Reference Database

Abstract. Part of the process to ensure the safety of radioactive waste disposal is the predictive modeling of the solubility of all relevant toxic components in a complex aqueous solution. To ensure the reliability of thermodynamic equilibrium modeling as well as to facilitate the comparison of such calculations done by different institutions it is ...
Moog, H. C., Hagemann, S., Kozlowski, A., Seher, H., Bok, F., Brendler, V., Richter, A., Wissmeier, L., Altmaier, M., Gaona, X., Kiefer, C., Marquardt, C., Freyer, D., Pannach, M., Sohr, J., Voigt, W., Miron, D.-G.   +16 more
openaire   +3 more sources

ThermoChimie, the ANDRA Thermodynamic Database

MRS Proceedings, 2012
ABSTRACTThermoChimie is the thermodynamic data base initially created by ANDRA in 1996, especially designed and qualified for systems of interest for the French high level waste repository concept. This database is supported by an experimental program on actinides and fission products and also on major components of the systems of interest, and it has ...
Lara Duro, Mireia Grivé, Eric Giffaut
openaire   +1 more source

Thermodynamic Database for Proteins: Features and Applications

2009
We have developed a thermodynamic database for proteins and mutants, ProTherm, which is a collection of a large number of thermodynamic data on protein stability along with the sequence and structure information, experimental methods and conditions, and literature information.
M Michael, Gromiha, Akinori, Sarai
openaire   +2 more sources

Thermodynamic Databases for Water-Rock Interaction

Reviews in Mineralogy and Geochemistry, 2009
The creation of thermodynamic databases may be one of the greatest advances in the field of geochemistry of the past century. These databases facilitate creation of phase diagrams describing which mineral phases are stable as a function of temperature and pressure, enabling detailed interpretation of metamorphic systems (e.g., Essene 1982; Spear and ...
Oelkers, E., Bénézeth, P., Pokrovski, G.   +2 more
openaire   +2 more sources

A thermodynamic database for zirconium alloys

Journal of Nuclear Materials, 1999
Abstract A thermodynamic database, Zircobase, was developed for zirconium alloys for use in the nuclear industry. Two examples of the assessments concerning the Sn–Zr and H–Zr systems are given. The complete set for the binary systems, compiled or assessed during the course of this study, is to be found on the web site: www.inpg.fr/ltpcm/base ...
N Dupin, I Ansara, C Servant, C Toffolon, C Lemaignan, J.C Brachet   +5 more
openaire   +1 more source