Influence of interatomic bonding potentials on detonation properties

Empirical interatomic potentials optimized for phonon properties

Molecular dynamics simulations have been extensively used to study phonons and gain insight, but direct comparisons to experimental data are often difficult, due to a lack of accurate empirical interatomic potentials for different systems. As a result, this issue has become a major barrier to realizing the promise associated with advanced atomistic-level modeling techniques. Here, we present a ...

Structural aspects of interatomic charge-transfer bonding.

Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials

Density functional theory offers a very accurate way of computing materials properties from first principles. However, it is too expensive for modeling large-scale molecular systems whose properties are, in contrast, computed using interatomic potentials. The present paper considers, from a mathematical point of view, the problem of constructing interatomic potentials that approximate a given q...

The Effect of Interatomic Potentials on Nanometric Abrasive Machining

One of the major tasks in a Molecular Dynamics (MD) simulation is the selection of adequate potential functions, and if the potentials don’t model the behaviour of the atoms correctly, the results produced from the simulation would be useless. Three popular potentials namely; EmbeddedAtom Potential (EAM), Morse and the Lennand-Jones, were employed to model copper workpiece and diamond tool in n...

the influence of the neo-platonic concept of poetic imagination on wordsworth’s poetry

بر اساس نظریه افلاطون در باره شعر خلاقیت هنری مورد انتقاد قرار گرفته است. نظریه کلی در مورد شعر این بود که شعر از ظواهرتقلید میکند و نه حقیقت. چون سایه ای از حقیقت است. اما با پیدایش فلسفه نو افلاطونی، انتقاتات قبلی در مورد شعر و شاعری اصلاح شد. فلوطین در کتاب انئید، اساس خلق هنری را بر محور مُثل افلاطونی قرار داد. وی باور داشت که هنر مندان در خلق آثار هنری، تحت تاثیر مُثل افلاطونی بوده و عوالمی ...