Excitation and Propagation of 1-Crowdion in BCC Niobium Lattice

Kolesnikov, Ivan D.; Shepelev, Igor A.

doi:10.54708/26587572_2022_4175

Cited by 8 publications

(8 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…It has the required functionality for this work and further nanocomposite deformation analysis. Previously, it has demonstrated itself as an effective tool for analyzing various aspects of structure transformation crystal lattices as a result of external influences, including the study of defects of dynamic and topological defects [40][41][42], resistance to heating nanocrystals reinforced with carbon nanotubes [43], analysis of deformation-induced phase transitions [44], shape changes crystals as a result of external electromagnetic influences [45], and many others. The MEAM potential was chosen to describe the Pt-Pt and Pt-CNT interaction.…”

Section: Methodsmentioning

confidence: 99%

Mechanical Properties of the Pt-CNT Composite under Uniaxial Deformation: Tension and Compression

Yankovaskaya,

Korznikova,

Korpusova

et al. 2023

Materials

View full text Add to dashboard Cite

Composite materials are gaining increasing attention from researchers worldwide due to their ability to offer tailored properties for various technical challenges. One of these promising fields is metal matrix composites, including carbon-reinforced metals and alloys. These materials allow for the reduction of density while simultaneously enhancing their functional properties. This study is focused on the Pt-CNT composite, its mechanical characteristics, and structural features under uniaxial deformation depending on temperature and mass fractions of carbon nanotube (CNT). The mechanical behavior of platinum reinforced with carbon nanotubes of diameters varying in the interval 6.62–16.55 Å under uniaxial tension and compression deformation has been studied by the molecular dynamics method. Simulations for tensile and compression deformations have been done for all specimens at different temperatures (viz. 300 K, 500 K, 700 K, 900 K, 1100 K, and 1500 K). The calculated mechanical characteristics allow us to conclude that, compared to pure platinum, the Young’s modulus increased by about 60%. The results indicate that yield and tensile strength values decreases with increase in temperature for all simulation blocks. This increase was due to the inherent high axial rigidity of CNTs. In this work, these characteristics are calculated for the first time for Pt-CNT. It can be concluded that CNTs can be an effective reinforcing material for composites based on a metal matrix under tensile strain.

show abstract

Section: Methodsmentioning

confidence: 99%

Mechanical Properties of the Pt-CNT Composite under Uniaxial Deformation: Tension and Compression

Yankovaskaya,

Korznikova,

Korpusova

et al. 2023

Materials

View full text Add to dashboard Cite

show abstract

“…В качестве основного метода исследования был использован метод молекулярной динамики, который ранее зарекомендовал себя как эффективный инструмент анализа различных аспектов трансформации структуры кристаллических решеток в результате внешних воздействий, в том числе при изучении дефектов краудионного типа [10][11][12], устойчивости к нагреву нанокристаллов, армированных углеродными нанотрубками [13], анализе деформационно индуцированных фазовых переходов [14], формоизменения кристаллов в результате внешних электромагнитных воздействий [15] и многих других.…”

Section: методика проведения исследованияunclassified

Simulation of overcoming obstacles in the form of pores by dislocations in tungsten

Kazakov¹,

Sharapova²,

Babicheva³

et al. 2022

FMT

View full text Add to dashboard Cite

Tungsten is widely used as a material capable of withstanding working conditions in nuclear reactors and other extreme conditions. Under the influence of irradiation, such defects as Frenkel pairs, pores, and dislocation loops are formed in the metal. Therefore, the research aimed at studying the interactions of these defects with each other and their influence on the mechanical properties of the metal are relevant. The paper presents the theoretical study based on the molecular dynamics method, the purpose of which is to investigate the mechanism of strain hardening of tungsten associated with the interaction of dislocations and pores. The authors solved this problem using the LAMMPS package, carried out the integration of atoms motion equations by the fourth order Verlet method. The model under the study is a single crystal of a certain [111], [–1–12], [1–10] orientation along the basic X, Y, and Z coordinate axis relatively, in which the slip of edge dislocations in the main slip system of BCC metals and their interaction with pores is considered. The authors studied the influence of a pore size on the shear stress magnitude: the growth of pore diameter is proportional to the stress growth. The dependences of shear stress on the shear strain in the temperature range of 600–1400 K are calculated, whereby the temperature change does not significantly influence the stress value. The study shows that dislocations cut the pores and, upon the repeated interaction with a pore, a lower value of peak shear stress is observed than during the first one. The presence of pores leads to the flow stress increase, and such an effect becomes more evident with the increasing pore diameter. The flow stress increases thrice for pores with a diameter of 6 nm compared to the material without pores. The authors described the mechanism of interaction between the edge dislocations and pores under the influence of shear stress.

show abstract

“…Discrete structures are extremely extensive, with crystalline materials, particularly metals and alloys, being one of the broadest classes. This study focuses on a crystal of stoichiometry A 3 B, supporting discrete breathers and the effect of nonlinear supratransmission [43][44][45][46][47]. The manifestation of this effect has been examined in our previous works [44][45][46].…”

Section: Introductionmentioning

confidence: 98%

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

Excitation and Propagation of 1-Crowdion in BCC Niobium Lattice

Cited by 8 publications

References 0 publications

Mechanical Properties of the Pt-CNT Composite under Uniaxial Deformation: Tension and Compression

Mechanical Properties of the Pt-CNT Composite under Uniaxial Deformation: Tension and Compression

Simulation of overcoming obstacles in the form of pores by dislocations in tungsten

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

Contact Info

Product

Resources

About