Pressure induced nanoparticle phase behavior, property, and applications

F Bai, K Bian, X Huang, Z Wang, H Fan - Chemical reviews, 2019 - ACS Publications
Nanoparticle (NP) high pressure behavior has been extensively studied over the years. In
this review, we summarize recent progress on the studies of pressure induced NP phase …

Direct Observation of Off‐Stoichiometry‐Induced Phase Transformation of 2D CdSe Quantum Nanosheets

H Ma, D Kim, SI Park, BK Choi, G Park… - Advanced …, 2023 - Wiley Online Library
Crystal structures determine material properties, suggesting that crystal phase
transformations have the potential for application in a variety of systems and devices. Phase …

Strain effect on structural and dehydrogenation properties of MgH2 hydride from first-principles calculations

J Zhang, YC Zhou, ZS Ma, LQ Sun, P Peng - International journal of …, 2013 - Elsevier
The structure, stability, dehydrogenation thermodynamic and kinetic properties of MgH2
hydride under different biaxial strain conditions were investigated by using first-principles …

Atomistic investigation on the mechanical properties and failure behavior of zinc-blende cadmium selenide (CdSe) nanowire

EH Chowdhury, MH Rahman, R Jayan… - Computational Materials …, 2021 - Elsevier
Understanding the mechanical properties of cadmium selenium (CdSe) nanowire has
received intense research interest due to its versatile application in semiconductor …

Effect of grain size and wire size on mechanical properties of polycrystalline Ta nanowire: Molecular Dynamics simulation

S Kazanc, CA Canbay - Solid State Communications, 2024 - Elsevier
The effects of grain size and length-to-diameter ratio (LDR) on the mechanical properties of
Polycrystalline Tantalum (Ta) nanowire were investigated by Molecular Dynamics (MD) …

Stability, Electronic Structure and Thermodynamic Properties of Nanostructured MgH2 Thin Films

O Mounkachi, A Akrouchi, G Tiouitchi, M Lakhal… - Energies, 2021 - mdpi.com
Magnesium is an attractive hydrogen storage candidate due to its high gravimetric and
volumetric storage capacities (7.6 wt.% and 110 gH2/l, respectively). Unfortunately, its use …

Effect of crystal orientation and temperature on the mechanical properties and fracture mechanism of silicon carbide nanowires

M Cao, Z Chen, L Lu, S Chen, Z Ma, L Yang - Journal of Nanoparticle …, 2023 - Springer
Abstract Silicon carbide nanowires (SiC NWs) are widely used as reinforcing materials in
composite materials based on ceramics, metals, and polymers, and their high-temperature …

Real-time visualization of nanocrystal solid–solid transformation pathways

JS Wittenberg, TA Miller, E Szilagyi, K Lutker… - Nano …, 2014 - ACS Publications
Measurement and understanding of the microscopic pathways materials follow as they
transform is crucial for the design and synthesis of new metastable phases of matter. Here …

Tensile loading induced phase transition and rippling in single-layer MoS2

H Bao, Y Huang, Z Yang, Y Miao, PK Chu, K Xu… - Applied Surface …, 2017 - Elsevier
Molecular dynamics (MD) simulation is performed to study the structural evolution of single-
layer MoS 2 nanosheets under tensile loading and a phase transition from hexagonal …

From sphere to multipod: thermally induced transitions of CdSe nanocrystals studied by molecular dynamics simulations

Z Fan, AO Yalcin, FD Tichelaar… - Journal of the …, 2013 - ACS Publications
Molecular dynamics (MD) simulations are used to show that a spherical zinc blende (ZB)
nanocrystal (NC) can transform into a tetrapod or an octapod as a result of heating, by a …