Topological and metrical property characterization of radical subunits for ternary hard sphere crystals
نویسندگان
چکیده
منابع مشابه
Stacking Entropy of Hard Sphere Crystals
Classical hard spheres crystallize at equilibrium at high enough density. Crystals made up of stackings of 2-dimensional hexagonal close-packed layers (e.g. fcc , hcp , etc.) differ in entropy by only about 10−3kB per sphere (all configurations are degenerate in energy). To readily resolve and study these small entropy differences, we have implemented two different multicanonical Monte Carlo al...
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Based on fundamental measure theory, a Helmholtz free energy density functional for three-component mixtures of hard spheres with general, non-additive interaction distances is constructed. The functional constitutes a generalization of the previously given theory for binary non-additive mixtures. The diagrammatic structure of the spatial integrals in both functionals is of star-like (or tree-l...
متن کاملCharacterization of mono- and divacancy in fcc and hcp hard-sphere crystals.
We determine and compare the thermodynamic properties of mono- and divacancies in the face-centered-cubic and hexagonal-close-packed hard-sphere crystals via a modified grand canonical ensemble. Widom-type particle insertion was employed to estimate the free energy of formation of mono- and divacancies, and the results are supported by an alternative approach, which quantifies the entropy gain ...
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Crystals of intact small ribosomal subunits from Thermus thermophilus have been obtained from functionally active particles. The crystals (P42(1)2, 407 A x 407 A x 171 A) are suitable for X-ray crystallography analysis to 9.9 A using synchrotron radiation at cryotemperature. Crystallographic data from native and a potential heavy-atom derivative have been collected.
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چکیده: فرض کنید که تابعی از اپسیلون یک مجموع نامتناهی از احتمالات موزون مربوط به مجموع های جزئی براساس یک دنباله از متغیرهای تصادفی مستقل و همتوزیع باشد، و همچنین فرض کنید توابعی مانند g و h وجود دارند که هرگاه امید ریاضی توان دوم x متناهی و امیدریاضی x صفر باشد، در این صورت می توان حد حاصلضرب این توابع را بصورت تابعی از امید ریاضی توان دوم x نوشت. حالت عکس نیز برقرار است. همچنین ما با استفاده...
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ژورنال
عنوان ژورنال: AIP Advances
سال: 2016
ISSN: 2158-3226
DOI: 10.1063/1.4941262