نتایج جستجو برای: thermodynamic
تعداد نتایج: 41341 فیلتر نتایج به سال:
Strand displacement and tile assembly systems are designed to follow prescribed kinetic rules (i.e., exhibit a specific time-evolution). However, the expected behavior in the limit of infinite time—known as thermodynamic equilibrium—is often incompatible with the desired computation. Basic physical chemistry implicates this inconsistency as a source of unavoidable error. Can the thermodynamic e...
Vitrification is a process in which a liquid begins to behave as a solid during cooling without any substantial change in molecular arrangement or thermodynamic state variables. The physical phenomenon of vitrification is relevant to both cryopreservation by freezing, in which cells survive in glass between ice crystals, and cryopreservation by vitrification in which a whole sample is vitrified...
we have investigated the electronic structure and thermodynamic properties of supercell of the -al2o3 by first-principles calculation in framework of density functional theory (dft) and full potential linearized augmented plane wave (fp-lapw) with generalized gradient approximation (gga) and by quasi-harmonic debye model. our calculated value for direct band gap of α-al2o3 is 7.2 ev which is v...
in this study the reaction of the derivative , material [1,5-b] tetrazolo [1,2,4] terry inflorescences (tta) with boron nitride nano- cages in different conditions of temperature , density functional theory methods were studied . for this purpose, the material on both sides were geometrically optimized reaction , then the calculation of the thermodynamic parameters were performed on all of th...
In the framework of a lattice-model study of protein folding, we investigate the interplay between designability, thermodynamic stability, and kinetics. To be \protein-like", heteropolymers must be thermodynamically stable, stable against mutating the amino-acid sequence, and must be fast folders. We nd two criteria which, together, guarantee that a sequence will be \protein like": i) the groun...
We develop a new thermodynamic approach to stochastic graph-rewriting. The ingredients are a finite set of reversible graph-rewriting rules G (called generating rules), a finite set of connected graphs P (called energy patterns), and an energy cost function which associates real values to each of these energy patterns. The idea is that G defines the qualitative dynamics, by showing which transf...
We propose discrete TBA equations for models with discrete spectrum. We illustrate our construction on the Calogero-Moser model and determine the discrete 2-body TBA function which yields the exact N -body CalogeroMoser thermodynamics. We apply this algorithm to the Lieb-Liniger model in a harmonic well, a model which is relevant for the microscopic description of harmonically trapped Bose-Eins...
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