Collision kernel and interatomic potential

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

Interatomic Potential Models for Nanostructures

Over the last decade, nanoscience and nanotechnology [1–4] have emerged as two of the pillars of the research that will lead us to the next industrial revolution [5] and, together with molecular biology and information technology, will map the course of scientific and technological developments in the 21st century. This progress has been largely due to the development of sophisticated theoretic...

متن کامل

A Be-W interatomic potential.

In this work, an interatomic potential for the beryllium-tungsten system is derived. It is the final piece of a potential puzzle, now containing all possible interactions between the fusion reactor materials beryllium, tungsten and carbon as well as the plasma hydrogen isotopes. The potential is suitable for plasma-wall interaction simulations and can describe the intermetallic Be(2)W and Be(12...

متن کامل

Environment-dependent interatomic potential for bulk silicon

We use recent theoretical advances to develop a functional form for interatomic forces in bulk silicon. The theoretical results underlying the model include an analysis of elastic properties for the diamond and graphitic structures and inversions of ab initio cohesive energy curves. The interaction model includes two-body and three-body terms which depend on the local atomic environment through...

متن کامل

Angular-dependent interatomic potential for tantalum

A new angular-dependent semi-empirical interatomic potential suitable for atomistic simulations of plastic deformation, fracture and related processes in body-centered cubic Ta has been constructed by fitting to experimental properties and a first-principles database generated in this work. The potential reasonably reproduces a variety of properties of Ta, including elastic constants, thermal e...

متن کامل

Interatomic potential for silicon defects and disordered phases

We develop an empirical potential for silicon which represents a considerable improvement over existing models in describing local bonding for bulk defects and disordered phases. The model consists of twoand three-body interactions with theoretically motivated functional forms that capture chemical and physical trends as explained in a companion paper. The numerical parameters in the functional...

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 A

سال: 1986

ISSN: 0556-2791

DOI: 10.1103/physreva.33.3067