4.7 Article

Understanding porosity and temperature induced variabilities in interface, mechanical characteristics and thermal conductivity of borophene membranes

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Nanoscience & Nanotechnology

Anisotropic crack propagation and self-healing mechanism of freestanding black phosphorus nanosheets

Thi-Xuyen Bui et al.

Summary: The molecular dynamics simulation revealed that the size of the FBP nanosheet determines crack direction and stress concentration, with crack direction unaffected by temperature. As specimen size increases, crack propagation rate is similar in the early and later stages, but larger specimens exhibit rapid cracking. Small FBP nanosheets can re-form quickly, while larger specimens cannot recover after destruction. Increasing the number of layers of FBP results in higher energy and deformation. Additionally, specimens with two fixed edges are less stable compared to those with four fixed edges, leading to increased stress and decreased Young's modulus.

NANOTECHNOLOGY (2021)

Article Multidisciplinary Sciences

Molecular dynamics study of the effect of extended ingrain defects on grain growth kinetics in nanocrystalline copper

Vladimir V. Dremov et al.

Summary: A large-scale classical molecular dynamics study explored the effect of ingrain defects on the grain growth rate of face centered cubic nanocrystalline material under thermal annealing. The results indicate that recrystallization occurs two times faster in samples with a high concentration of extended ingrain defects compared to defect-free samples.

SCIENTIFIC REPORTS (2021)

Article Engineering, Electrical & Electronic

Influences of grain size, alloy composition, and temperature on mechanical characteristics of Si100-xGex alloys during indentation process

Van-Trung Pham et al.

Summary: This study used molecular dynamics simulations to investigate the mechanical characteristics of Si100-xGex alloys during indentation, finding that single crystalline specimens have higher hardness, loading force, and Young's modulus compared to polycrystalline specimens. The results also showed that as grain size decreases, loading force and hardness decrease, and grain boundaries play a significant role in material deformation behavior. Increasing silicon content in the alloy compositions led to higher hardness and Young's modulus, while increasing temperature resulted in reduced hardness and Young's modulus due to increased atomic displacement and shear strain.

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING (2021)

Article Materials Science, Multidisciplinary

The thermal transport characterization of borophene: A molecular dynamics study

Ali Noroozi et al.

Summary: This study investigated the thermal properties of borophene using molecular dynamics simulation, reporting the exact phase transition temperature for the borophene sheets for the first time and studying the effects of temperature, point defects, and chirality angle on the thermal conductivity. The results showed that the thermal conductivity of borophene decreased with increasing temperature, was anisotropic, and highly dependent on vacancy defects.

COMPUTATIONAL MATERIALS SCIENCE (2021)

Article Materials Science, Multidisciplinary

Computational characterization of thermal and mechanical properties of single and bilayer germanene nanoribbon

Md Habibur Rahman et al.

Summary: This study utilized molecular dynamics simulations to investigate the mechanical strength, melting temperature, and phonon thermal conductivity of Germanene nanoribbons, revealing that bilayer nanoribbons can significantly reduce the thermal conductivity of single-layer nanoribbons. Factors affecting the phonon thermal conductivity include temperature, strain, defects, and nanoribbon dimensions.

COMPUTATIONAL MATERIALS SCIENCE (2021)

Article Materials Science, Multidisciplinary

Effect of incidence and size of graphite particle on the formation of graphene on Ni surfaces

Anh-Vu Pham et al.

Summary: This paper investigates the effects of graphite thickness, impact velocity, substrate temperature, angle tilt of particle, incident angle, and Ni crystalline faces on the formation of graphene flakes, temperature, von Mises stress, and deformation. Graphene flakes are formed due to impaction and attachment between the Ni substrate and graphite particles during the deposition process. Results show a critical impact velocity leading to graphene flakes detaching from graphite particles and attaching to Ni substrates.

VACUUM (2021)

Article Multidisciplinary Sciences

U1 snRNP regulates cancer cell migration and invasion in vitro

Jung-Min Oh et al.

NATURE COMMUNICATIONS (2020)

Article Multidisciplinary Sciences

Re-epithelialization and immune cell behaviour in an ex vivo human skin model

Ana Rakita et al.

SCIENTIFIC REPORTS (2020)

Article Engineering, Multidisciplinary

Engineered porous borophene with tunable anisotropic properties

S. Arabha et al.

COMPOSITES PART B-ENGINEERING (2020)

Article Materials Science, Multidisciplinary

Investigation into the fracture mechanism and thermal conductivity of borophene nanofilm; a reactive molecular dynamics simulation

Rouzbeh Abadi et al.

COMPUTATIONAL MATERIALS SCIENCE (2020)

Article Materials Science, Multidisciplinary

Anisotropic mechanical strength, negative Poisson's ratio and fracture mechanism of borophene with defects

Van-Trung Pham et al.

THIN SOLID FILMS (2020)

Article Multidisciplinary Sciences

Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation

Jinzhe Zeng et al.

NATURE COMMUNICATIONS (2020)

Article Chemistry, Physical

Vacancy-induced thermal transport in two-dimensional silicon carbide: a reverse non-equilibrium molecular dynamics study

A. S. M. Jannatul Islam et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Materials Science, Multidisciplinary

Tensile mechanical properties and fracture behavior of monolayer InSe under axial tension

Xu Chang et al.

COMPUTATIONAL MATERIALS SCIENCE (2019)

Review Physics, Multidisciplinary

Review of borophene and its potential applications

Zhi-Qiang Wang et al.

FRONTIERS OF PHYSICS (2019)

Article Nanoscience & Nanotechnology

Anomalous temperature dependent thermal conductivity of two-dimensional silicon carbide

A. S. M. Jannatul Islam et al.

NANOTECHNOLOGY (2019)

Article Multidisciplinary Sciences

Raman Spectra Shift of Few-Layer IV-VI 2D Materials

Minwoo Park et al.

SCIENTIFIC REPORTS (2019)

Article Materials Science, Multidisciplinary

Kapitza conductance of symmetric tilt grain boundaries of monolayer boron nitride

Mohan S. R. Elapolu et al.

COMPUTATIONAL MATERIALS SCIENCE (2018)

Article Nanoscience & Nanotechnology

Borophene as a prototype for synthetic 2D materials development

Andrew J. Mannix et al.

NATURE NANOTECHNOLOGY (2018)

Article Nuclear Science & Technology

Thermal transport in thorium dioxide

Jungkyu Park et al.

NUCLEAR ENGINEERING AND TECHNOLOGY (2018)

Article Multidisciplinary Sciences

Thermal Conductivity of Graphene-hBN Superlattice Ribbons

Isaac M. Felix et al.

SCIENTIFIC REPORTS (2018)

Article Materials Science, Multidisciplinary

Thermal transport properties of single-layer black phosphorus from extensive molecular dynamics simulations

Ke Xu et al.

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2018)

Article Materials Science, Multidisciplinary

Electronic and mechanical properties of few-layer borophene

Hongxia Zhong et al.

PHYSICAL REVIEW B (2018)

Article Engineering, Mechanical

Temperature and strain-rate dependent mechanical properties of single-layer borophene

Zhen-Dong Sha et al.

EXTREME MECHANICS LETTERS (2018)

Article Nanoscience & Nanotechnology

Anomalous strain effect on the thermal conductivity of borophene: a reactive molecular dynamics study

Bohayra Mortazavi et al.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2017)

Article Chemistry, Physical

Phonon-mediated superconductivity in Mg intercalated bilayer borophenes

Ji-Hai Liao et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)

Review Materials Science, Multidisciplinary

Recent progress in boron nanomaterials

Takahiro Kondo

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS (2017)

Article Multidisciplinary Sciences

Negative Poisson's ratio in 1T-type crystalline two-dimensional transition metal dichalcogenides

Liping Yu et al.

NATURE COMMUNICATIONS (2017)

Article Multidisciplinary Sciences

Casimir force phase transitions in the graphene family

Pablo Rodriguez-Lopez et al.

NATURE COMMUNICATIONS (2017)

Article Multidisciplinary Sciences

Ror2 signaling regulates Golgi structure and transport through IFT20 for tumor invasiveness

Michiru Nishita et al.

SCIENTIFIC REPORTS (2017)

Article Chemistry, Multidisciplinary

Fine-Tuning the Optoelectronic Properties of Freestanding Borophene by Strain

Lyudmyla Adamska et al.

ACS OMEGA (2017)

Article Physics, Applied

Phonon thermal conductivity of monolayer MoS2

Xiaonan Wang et al.

APPLIED PHYSICS LETTERS (2016)

Article Nanoscience & Nanotechnology

Phonon transport in single-layer boron nanoribbons

Zhongwei Zhang et al.

NANOTECHNOLOGY (2016)

Article Physics, Multidisciplinary

Strain effects on borophene: ideal strength, negative Possion's ratio and phonon instability

Haifeng Wang et al.

NEW JOURNAL OF PHYSICS (2016)

Article Chemistry, Physical

Mechanical responses of borophene sheets: a first-principles study

Bohayra Mortazavi et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Article Chemistry, Physical

First-principles study of thermal properties of borophene

Hongyi Sun et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Article Physics, Multidisciplinary

B36 borophene as an electronic sensor for formaldehyde: Quantum chemical analysis

Amirhossein Shahbazi Kootenaei et al.

PHYSICS LETTERS A (2016)

Article Materials Science, Multidisciplinary

Stable and metallic borophene nanoribbons from first-principles calculations

Yunxia Liu et al.

JOURNAL OF MATERIALS CHEMISTRY C (2016)

Article Materials Science, Multidisciplinary

The electronic, optical, and thermodynamic properties of borophene from first-principles calculations

Bo Peng et al.

JOURNAL OF MATERIALS CHEMISTRY C (2016)

Article Materials Science, Multidisciplinary

Abnormality in fracture strength of polycrystalline silicene

Ning Liu et al.

2D MATERIALS (2016)

Article Materials Science, Multidisciplinary

Electronic properties of 8-Pmmn borophene

Alejandro Lopez-Bezanilla et al.

PHYSICAL REVIEW B (2016)

Article Materials Science, Multidisciplinary

Thermal conductivity of monolayer hexagonal boron nitride nanoribbons

Alireza Tabarraei

COMPUTATIONAL MATERIALS SCIENCE (2015)

Article Physics, Condensed Matter

Temperature and strain-rate effects on the deformation behaviors of nano-crystalline graphene sheets

Zhi Yang et al.

EUROPEAN PHYSICAL JOURNAL B (2015)

Article Multidisciplinary Sciences

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

Andrew J. Mannix et al.

SCIENCE (2015)

Article Multidisciplinary Sciences

Silicene nanomesh

Feng Pan et al.

SCIENTIFIC REPORTS (2015)

Article Materials Science, Multidisciplinary

Mechanical properties of silicene

Ruth E. Roman et al.

COMPUTATIONAL MATERIALS SCIENCE (2014)

Article Multidisciplinary Sciences

Negative poisson's ratio in single-layer black phosphorus

Jin-Wu Jiang et al.

NATURE COMMUNICATIONS (2014)

Article Physics, Multidisciplinary

Thermal conductivity of defective graphene

Y. Y. Zhang et al.

PHYSICS LETTERS A (2012)

Article Materials Science, Multidisciplinary

Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool

Alexander Stukowski

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2010)

Article Materials Science, Multidisciplinary

Size effects in molecular dynamics thermal conductivity predictions

D. P. Sellan et al.

PHYSICAL REVIEW B (2010)

Article Chemistry, Multidisciplinary

Length dependence of carbon nanotube thermal conductivity and the problem of long waves

N Mingo et al.

NANO LETTERS (2005)

Article Materials Science, Multidisciplinary

Calculation of stress in atomistic simulation

JA Zimmerman et al.

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2004)

Article Multidisciplinary Sciences

Electric field effect in atomically thin carbon films

KS Novoselov et al.

SCIENCE (2004)

Article Materials Science, Multidisciplinary

Comparison of atomic-level simulation methods for computing thermal conductivity

PK Schelling et al.

PHYSICAL REVIEW B (2002)