STRUCTURAL STABILITY OF Ag AND Ag NANOCLUSTERS WITH A CHANGE IN THE INITIAL MORPHOLOGY

В статье методом молекулярной динамики с использованием модифицированного потенциала сильной связи TB-SMA (second moment approximation of tight-binding) проводится сравнительный анализ характера термически индуцированных структурных переходов в нанокластерах серебра, число атомов в которых соответствует «магическим» числам икосаэдрической структуры, при вариации их начальной морфологии. Показано, что в случае начальной ГЦК конфигурации формирование Ih модификации происходит либо на этапе предварительной термической релаксации, либо в ходе дальнейшего нагрева. При начальной аморфной морфологии характер структурных переходов претерпевает значительные изменения. Так, например, формирующаяся Ih модификация обладает большей стабильностью в области высоких температур и точка плавления нанокластеров смещается на величину более 100 К. Такой эффект обусловлен более плавным изменением удельной потенциальной энергии нанокластера в сравнении со случаем, когда устойчивая Ih конфигурация формируется при низких температурах. Полученные данные могут быть использованы при процессах создания нанокластеров серебра с требуемым внутренним строением. This article provides a comparative analysis of thermally induced structural transitions in silver nanoclusters with a change in their initial morphology. The study was executed by the molecular dynamics method using the modified TB-SMA (second moment approximation of tight-binding) tight binding potential. The number of atoms in nanoclusters corresponds to the icosahedral structure «magic» numbers. It is shown that for nanoclusters with the initial FCC configuration, the Ih modification is formed either at the stage of preliminary thermal relaxation or during further heating. For nanoclusters with an initial amorphous morphology, the nature of structural transitions undergoes significant changes. For example, the formed Ih modification is more stable at high temperatures and the melting point of nanoclusters shifts by more than 100 K. This effect is due to a smoother change in the specific potential energy of the nanocluster in comparison with the case when a stable Ih configuration is formed at low temperatures. The data obtained can be used in processes to create silver nanoclusters with the required internal structure.

ROLE OF «MAGIC» HCP NUMBERS IN STABILITY OF THE INTERNAL STRUCTURE OF Ag AND Ag NANOCLUSTERS

В настоящее время серебро активно применяется в микроэлектронике, в основном благодаря своей высокой электро- и теплопроводности. Учет процессов взаимодействия между металлом и световой волной (плазмонные эффекты) дает совершенно новые технические приложения серебра. Эти приложения становятся возможными благодаря сильному взаимодействию между падающим светом и свободными электронами в наноструктурах. К настоящему времени уже стало понятно, что размер, форма и структура наночастиц определяют их плазмонные свойства, в том числе резонансные частоты. Следовательно, подгонкой размера, внешнего вида металлической наноструктуры и ее внутреннего строения, можно управлять светом с очень большой степенью точности. В данной работе методом молекулярной динамики с использованием модифицированного потенциала сильной связи TB-SMA (second moment approximation of tight-binding) были изучены границы термической стабильности различной исходной структурной фазы в малых кластерах серебра с числом атомов, соответствующим «магическим» числам ГПУ структуры. Было показано, что характер термически индуцированных структурных переходов в исследуемых группах нанокластеров резко отличается. Данный факт может позволить создать малые кластеры серебра с требуемым внутренним строением. Currently, silver is actively used in microelectronics, mainly due to its high electrical and thermal conductivity. Taking into account the processes of interaction between a metal and a light wave (plasmon effects) gives completely new technical applications of silver. These applications are made possible by the strong interaction between incident light and free electrons in nanostructures. By now, it has already become clear that the size, shape, and structure of nanoparticles determine their plasmon properties, including resonance frequencies. Therefore, by adjusting the size, appearance of the metal nanostructure and its internal structure, it is possible to control light with a very high degree of accuracy. In this work, the boundaries of thermal stability of various initial structural phases in small silver clusters with the number of atoms corresponding to the «magic» numbers of the hcp structure were studied by the molecular dynamics method using the modified tight-binding potential TB-SMA (second moment approximation of tight-binding). It was shown that the nature of thermally induced structural transitions in the groups of nanoclusters under study differs sharply. This fact can make it possible to create small silver clusters with the required internal structure.

Passive Tracking of Multiple Underwater Targets in Incomplete Detection and Clutter Environment

A major advantage of the use of passive sonar in the tracking multiple underwater targets is that they can be kept covert, which reduces the risk of being attacked. However, the nonlinearity of the passive Doppler and bearing measurements, the range unobservability problem, and the complexity of data association between measurements and targets make the problem of underwater passive multiple target tracking challenging. To deal with these problems, the cardinalized probability hypothesis density (CPHD) recursion, which is based on Bayesian information theory, is developed to handle the data association uncertainty, and to acquire existing targets’ numbers and states (e.g., position and velocity). The key idea of the CPHD recursion is to simultaneously estimate the targets’ intensity and the probability distribution of the number of targets. The CPHD recursion is the first moment approximation of the Bayesian multiple targets filter, which avoids the data association procedure between the targets and measurements including clutter. The Bayesian-filter-based extended Kalman filter (EKF) is applied to deal with the nonlinear bearing and Doppler measurements. The experimental results show that the EKF-based CPHD recursion works well in the underwater passive multiple target tracking system in cluttered and noisy environments.

Relativistic non-resistive viscous magnetohydrodynamics from the kinetic theory: a relaxation time approach

We derive the relativistic non-resistive, viscous second-order magnetohydrodynamic equations for the dissipative quantities using the relaxation time approximation. The Boltzmann equation is solved for a system of particles and antiparticles using Chapman-Enskog like gradient expansion of the single-particle distribution function truncated at second order. In the first order, the transport coefficients are independent of the magnetic field. In the second-order, new transport coefficients that couple magnetic field and the dissipative quantities appear which are different from those obtained in the 14-moment approximation [1] in the presence of a magnetic field. However, in the limit of the weak magnetic field, the form of these equations are identical to the 14-moment approximation albeit with different values of these coefficients. We also derive the anisotropic transport coefficients in the Navier-Stokes limit.

Magnetic and vibrational properties of small chromium clusters on the Cu(111) surface

The structure and magnetic properties of small Cr clusters adsorbed on the Cu(111) surface have been investigated using DFT theory and their vibrational properties have been calculated using tight-binding second moment approximation interatomic interaction potentials.