Excitation of Soliton-Type Waves in Crystals of the A3B Stoichiometry

Zakharov, Pavel; Старостенков, М. Д.; Korznikova, Elena A.; Eremin, A. M.; Lutsenko, I. S.

doi:10.1134/s1063783419110416

Cited by 10 publications

(5 citation statements)

References 37 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Also, such potentials are unsuitable for describing the free surface of metals and alloys. In turn, in this work, we use the potential, devoid of these shortcomings, obtained by the embedded atom method [52]. The total energy E of the crystal for given potentials can be expressed as…”

Section: Methodsmentioning

confidence: 99%

See 1 more Smart Citation

The Influence of Crystal Anisotropy on the Characteristics of Solitary Waves in the Nonlinear Supratransmission Effect: Molecular Dynamic Modeling

Zakharov,

Korznikova,

Izosimov

et al. 2023

Computation

View full text Add to dashboard Cite

This study examines the mechanism of nonlinear supratransmission (NST), which involves the transfer of disturbance to discrete media at frequencies not supported by the structure. We considered a model crystal with A3B stoichiometry. The investigation was carried out using atomistic modeling through molecular dynamics. The interatomic interaction was determined by a potential obtained through the embedded atom method, which approximates the properties of the Pt3Al crystal. The effect of NST is an important property of many discrete structures. Its existence requires the discreteness and nonlinearity of the medium, as well as the presence of a forbidden zone in its spectrum. This work focuses on the differences in the NST effect due to the anisotropy of crystallographic directions. Three planes along which the disturbance caused by NST propagated were considered: (100), (110), and (111). It was found that the intensity of the disturbance along the (100) plane is an order of magnitude lower than for more densely packed directions. Differences in the shape of solitary waves depending on the propagation direction were shown. Moreover, all waves can be described by a single equation, being a solution of the discrete variational equations of macroscopic and microscopic displacements, with different parameters, emphasizing the unified nature of the waves and the contribution of crystal anisotropy to their properties. Studying the NST phenomenon is essential due to numerous applications of the latter, such as implications in information transmission and signal processing. Understanding how disturbances propagate in discrete media could lead to advancements in communication technologies, data storage, and signal amplification where the earlier mentioned ability to describe it with analytical equations is of particular importance.

show abstract

Section: Methodsmentioning

confidence: 99%

“…We applied an EAM potential for Pt 3 Al has been obtained using the methodology proposed by Zhou [52]. Atoms in a Pt 3 Al intermetallic compound are located on the sites of a FCC lattice and belong to Space Group Pm3m, point group 221.…”

Section: Methodsmentioning

confidence: 99%

The Influence of Crystal Anisotropy on the Characteristics of Solitary Waves in the Nonlinear Supratransmission Effect: Molecular Dynamic Modeling

Zakharov,

Korznikova,

Izosimov

et al. 2023

Computation

View full text Add to dashboard Cite

show abstract

“…2). Выбор рядов платины обусловлен тем, что основная энергия волны сосредоточена именно на них [50]. Стрелкой на рисунке показано направление распространения возмущения среды вдоль оси Z. Продемонстрирован интервал от 2.5 до 10.5 пс для частоты 7.27 ТГц.…”

Section: результаты и обсужденияunclassified

“…Установлено смещение границы поглощения при увеличении амплитуды воздействия. В [50] исследуется распространение сгенерированных волн в данном кристалле в зависимости от характеристик внешнего воздействия, и делается вывод об определяющей роли дискретных бризеров с мягким типом нелинейности в формирование уединенных волн. В данной работе целью изучения является механизм генерации уединенных волн в кристалле стехиометрии А 3 В для различных направлений в диапазоне частот запрещенной области фононного спектра.…”

Section: Introductionunclassified

“…Рис. 1b) в модели рассчитан посредством оригинальной методики на базе молекулярно-динамического моделирования при температуре 300 K. В отличие от работы[50], где использовались встроенные процедуры на основе преобразования Фурье автокорреляционных функций перемещений атомов от времени. Результаты хорошо совпали в области запрещенной зоны, которая…”

unclassified

See 1 more Smart Citation

Molecular dynamic analysis of energy transport in a Pt3Al crystal under the impact in the spectrum gap frequency

Zakharov

Korznikova

2021

Lett. Mater.

View full text Add to dashboard Cite

Сonstant search for new mechanisms of energy transport associated with a decrease in losses results in the active investigation of the possibilities of generating mobile excitations at frequencies outside the phonon spectrum. The effect of energy transfer at frequencies outside the band, possible in case if the excitation amplitude exceeds the critical value, was previously actively studied in reduced dimension systems. In this work, for the first time, the possibility and features of energy transfer at frequencies outside the phonon spectrum of a crystal are studied on the Pt 3 Al biatomic lattice, the corresponding excitations in which are created through the implementation of harmonic vibrations at frequencies lying in the phonon spectrum gap. It was found that as a result of the initial impact, the parameters of which lie in the band gap, at the first stage, discrete breathers are formed on aluminum atoms lying in the immediate vicinity of the impact zone. The threshold value of the energy required to excite breathers, determined by the amplitude and frequency of exposure, decreases as the frequency approaches the boundary of the slit in the spectrum. At the second stage, after the end of the harmonic action, a soliton-like wave is formed, moving along the crystal with an average speed of 4.5 km / s. The wave velocity is practically independent of the initial disturbance amplitude. The shape and amplitude of the moving wave are weakly dependent on the initial frequency. Significant differences in the profile and a tendency to bimodality were revealed only when exposed to frequencies close to the lower limit of the spectrum. The results obtained contribute to a fundamental understanding of the features of the propagation of elastic disturbances in nonlinear media in case of forbidden zones region impacts.

show abstract