We show that on cooling towards glass transition configurational entropy exhibits more significant changes than predicted by classic relation. A universal formula according to Kauzmann temperature T K is given: S = S 0 t n , where t = T - T K / T . The exponent n is hypothetically linked...
(MO) calculations for monomeric and dimeric model compounds of poly((R)-3-hydroxybutyrate) (PHB) were introduced into the refined rotational isomeric state (RIS) scheme to yield the characteristic ratio, configurational entropy, configurational internal energy, bond conformations and averaged geometrical...
The three key environmental pollution indicators (industrial sulfur dioxide emissions, industrial wastewater emissions, and industrial smoke and dust emissions) are integrated into a comprehensive urban environmental pollution index using the entropy method, which allows the measuring of the undesirable output...
Detailed attention is given to the formula S XS = 1/2 k B 〈lnα k 〉 which sets the excess entropy proportional to the mean value of the logarithm of the intensity. As an example of application, a concise analysis for pair correlations and thermodynamic properties at equilibrium is ...
The configurational entropy of some random tiling models is calculated. We mainly focus on co-dimension one rhombohedral tilings for which a general approximate formula is given for the number of configurations as a function of boundary conditions. The formula gives numbers remarkably close to (...
We show that on cooling towards glass transition configurational entropy exhibits more significant changes than predicted by classic relation. A universal formula according to Kauzmann temperature [Formula: see text] is given: [Formula: see text], where [Formula: see text]. The exponent [Formula: ...
entropy Article Configurational Entropy in Multicomponent Alloys: Matrix Formulation from Ab Initio Based Hamiltonian and Application to the FCC Cr-Fe-Mn-Ni System Antonio Fernández-Caballero 1,2 , Mark Fedorov 3, Jan S. Wróbel 3 , Paul M. Mummery 1 and Duc Nguyen-Manh 2,* 1 School of ...
entropy Article On the Configurational Entropy of Nanoscale Solutions for More Accurate Surface and Bulk Nano-Thermodynamic Calculations Andras Dezso 1 and George Kaptay 1,2,3,* 1 Department of Nanotechnology, University of Miskolc, Miskolc H-3515, Hungary; dezsoa0318@freemail.hu 2 MTA-ME ...
A comparison is made between three simple approximate formulas for the configurational adiabat (i.e., constant excess entropy, s(ex)) lines in a Lennard-Jones (LJ) fluid, one of which is an analytic formula based on a harmonic approximation, which was derived by Heyes et al. [J. Chem....
Configurational entropy in Formula Not Shown brane modelsCorrea, R. A.Correa, R. A.Correa, R. A.Correa, R. A.Moraes, P. H.Moraes, P. H.Moraes, P. H.Moraes, P. H.EUROPEAN PHYSICAL JOURNAL C PARTICLES AND FIELDS