Consistent methodology for calculating surface and interface energies

نویسندگان
چکیده

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

preparation and characterization of new co-fe and fe-mn nano catalysts using resol phenolic resin and response surface methodology study for fischer-tropsch synthesis

کاتالیزورهای co-fe-resol/sio2و fe-mn-resol/sio2 با استفاده از روش ساده و ارزان قیمت همرسوبی تهیه شدند. از رزین پلیمری resol در فرآیند تهیه کاتالیزور استفاده شد.

Expectation Consistent Free Energies for Approximate Inference

We propose a novel a framework for deriving approximations for intractable probabilistic models. This framework is based on a free energy (negative log marginal likelihood) and can be seen as a generalization of adaptive TAP [1, 2, 3] and expectation propagation (EP) [4, 5]. The free energy is constructed from two approximating distributions which encode different aspects of the intractable mod...

متن کامل

Thermodynamically consistent phase field theory of phase transformations with anisotropic interface energies and stresses

The main focus of this paper is to introduce, in a thermodynamically consistent manner, an anisotropic interface energy into a phase field theory for phase transformations. Here we use a small strain formulation for simplicity, but we retain some geometric nonlinearities, which are necessary for introducing correct interface stresses. Previous theories have assumed the free energy density (i.e....

متن کامل

Calculating free energies using average force

Many molecular-dynamics computer simulations of chemically and biologically interesting systems are devoted to calculating free-energy changes along selected degrees of freedom. In some instances, the full free-energy profile is of interest. For example, nonmonotonic changes in the free energy of two small, hydrophobic species in water as a function of their separation, observed in computer sim...

متن کامل

Calculating Vacuum Energies in Quantum Field Theory

A new approach to generalised Casimir type of problems is derived within the context of renormalisable quantum field theory (QFT). We study the simplest case of a massive fluctuating boson field coupled to a time-independent background potential. We use analytic properties of scattering data to compute the relevant Green’s functions at imaginary momenta, which in turn yields a simple and effici...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Physical Review B

سال: 1998

ISSN: 0163-1829,1095-3795

DOI: 10.1103/physrevb.57.7281