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Infrared dim and small target detection is crucial in fields, such as military reconnaissance and remote sensing. However, due to the extremely small target size, lack of texture, and low signal-to-noise ratio, the direc...

A new Lagrangian formulation is introduced. It can be used to make molecular dynamics (MD) calculations on systems under the most general, externally applied, conditions of stress. In this formulation the MD cell shape a...

The semiconductor ZnO has gained substantial interest in the research community in part because of its large exciton binding energy (60meV) which could lead to lasing action based on exciton recombination even above room...

In order to find an upper theoretical limit for the efficiency of p-n junction solar energy converters, a limiting efficiency, called the detailed balance limit of efficiency, has been calculated for an ideal case in whi...

Abstract This paper discusses the applicability of statistics to a wide field of problems. Examples of simple and complex distributions are given.

The authors present a new molecular dynamics algorithm for sampling the canonical distribution. In this approach the velocities of all the particles are rescaled by a properly chosen random factor. The algorithm is forma...

For the molecules Be 2 , F 2 , and P 2 of Table For these broken-symmetry solutions, the UHF atomization energies become 17, 220, and 141 kcalmol, respectively, and the mean absolute error of all the UHF atomization ener...

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Anomaly detection is an important problem that has been researched within diverse research areas and application domains. Many anomaly detection techniques have been specifically developed for certain application domains...

Phonon plays essential roles in dynamical behaviors and thermal properties, which are central topics in fundamental issues of materials science. The importance of first principles phonon calculations cannot be overly emp...

Correlation consistent and augmented correlation consistent basis sets have been determined for the second row atoms aluminum through argon. The methodology, originally developed for the first row atoms [T. H. Dunning, J...

In molecular dynamics (MD) simulations the need often arises to maintain such parameters as temperature or pressure rather than energy and volume, or to impose gradients for studying transport properties in nonequilibriu...

Spintronics, or spin electronics, involves the study of active control and manipulation of spin degrees of freedom in solid-state systems. This article reviews the current status of this subject, including both recent ad...

A structure refinement method is described which does not use integrated neutron powder intensities, single or overlapping, but employs directly the profile intensities obtained from step-scanning measurements of the pow...

Materias / palabras clave: Multiplet; Chemical state; Spectral line; X-ray photoelectron spectroscopy; Chemistry; Binding energy; Transition metal; Chemical species; Analytical Chemistry (journal); Atomic physics; Physics; Nuclear magnetic resonan...

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Materias / palabras clave: applied mathematics, mechanics; Science: Physics: Descriptive and experimental mechanics; Science: Mathematics

Materias / palabras clave: physics, applied, materials, experimental, computational; Science: Physics