Progress of CALPHAD ( calculation phase diagram ).
نویسندگان
چکیده
منابع مشابه
Path-integral calculation of the two-dimensional He phase diagram
Path-integral Monte Carlo simulations have been used to determine the phase diagram of a two-dimensional He film in a range of temperatures and coverages where it undergoes solidification, superfluidity, and a liquid-gas transition (0.25 K<T<1.5 K 0,s,0.094 Å). We determine the phase-transition densities and give the coefficients for a functional form of the free energy in the liquid, solid, an...
متن کاملFirst-Principles Calculation of the Cu-Li Phase Diagram
Abstact We present first-principles calculations of the solid-state portion of the Cu-Li phase diagram based on the cluster expansion formalism coupled with the use of (i) bond length-dependent transferable force constants and lattice dynamics calculations to model of vibrational disorder and (ii) lattice gas Monte Carlo simulations to model configurational disorder. These calculations help set...
متن کاملA new algorithm for the automation of phase diagram calculation
We propose a new algorithm for minimizing the Gibbs energy functional and constructing phase diagrams through utilizing geometric properties of the energy surfaces together with effective sampling techniques to improve on the starting points for the minimization. The new method possesses advantages over existing methods in terms of computational complexity and can be used to automate the calcul...
متن کاملPhase diagram of microtubules.
The protein tubulin is found in every cell of every living organism (with the exception of bacteria ) [1]. In the presence of guanosine-tri-phosphate (GTP) and magnesium ions (Mg +), tubulin-GTP complexes form [2] and aggregate [3] into long, hollow cylinders called microtu bules. Microtubules are about 25 nm in outer diameter, incorporate 1625 tubulin dimers per micrometer of their length [4] ...
متن کاملPhase Diagram of LixFePO4
The phase diagram for LixFePO4 has been determined for different lithium concentrations and temperatures. The two lowtemperature phases, heterosite and triphylite, have previously been shown to transform to a disordered solid solution at elevated temperatures. This disordered phase allows for a continuous transition between the heterosite and triphylite phases and is stable at relatively low te...
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ژورنال
عنوان ژورنال: Bulletin of the Japan Institute of Metals
سال: 1992
ISSN: 0021-4426,1884-5835
DOI: 10.2320/materia1962.31.389