scholarly journals Tandem Molecular Dynamics and Continuum Studies of Shock‐Induced Pore Collapse in TATB

2020 ◽  
Vol 45 (2) ◽  
pp. 196-222 ◽  
Author(s):  
Puhan Zhao ◽  
Sangyup Lee ◽  
Tommy Sewell ◽  
H. S. Udaykumar
Keyword(s):  
Molecular Dynamics ◽  
Pore Collapse

Molecular dynamics-guided material model for the simulation of shock-induced pore collapse in β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX)

2021 ◽  
Vol 130 (8) ◽  
pp. 085901 ◽  
Author(s):  
Pratik Das ◽  
Puhan Zhao ◽  
Dilki Perera ◽  
Tommy Sewell ◽  
H. S. Udaykumar
Keyword(s):  
Molecular Dynamics ◽  
Material Model ◽  
Pore Collapse

scholarly journals Особенности воздействия ионов He и Ar низких энергий на нанопористые Si/SiO-=SUB=-2-=/SUB=--материалы

2020 ◽  
Vol 46 (11) ◽  
pp. 15
Author(s):  
А.А. Сычева ◽  
Е.Н. Воронина
Keyword(s):  
Molecular Dynamics ◽  
Structural Changes ◽  
Ion Irradiation ◽  
Nanoporous Materials ◽  
Low Energy ◽  
Pore Collapse ◽  
Surface Layers ◽  
Nanoporous Si ◽  
Dynamics Simulations ◽  
Low Energy Ions

In this paper molecular dynamics simulations of low-energy (50–200 eV) ion irradiation of nanoporous Si/SiO2-based materials were performed. Obtained results confirm the experimentally observed the densification of the uppermost surface layers of materials with small (less than 1.5 nm) pores due to pore collapse initiated by incident ions. Special features of the irradiation of nanoporous materials with He and Ar low-energy ions and the influence of their energy on structural changes of materials under study are discussed.

Continuum and molecular dynamics simulations of pore collapse in shocked β-tetramethylene tetranitramine (β-HMX) single crystals

2021 ◽  
Vol 129 (1) ◽  
pp. 015904
Author(s):  
Camilo A. Duarte ◽  
Chunyu Li ◽  
Brenden W. Hamilton ◽  
Alejandro Strachan ◽  
Marisol Koslowski
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Single Crystals ◽  
Pore Collapse ◽  
Dynamics Simulations

scholarly journals Study on Lightweight and Strengthening Effect of Carbon Nanotube in Highly Ordered Nanoporous Nickel: A Molecular Dynamics Study

2019 ◽  
Vol 9 (2) ◽  
pp. 352 ◽  
Author(s):  
Yu Zhou ◽  
Wu-Gui Jiang ◽  
Duo-Sheng Li ◽  
Qing-Hua Qin
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Tensile Modulus ◽  
Md Simulations ◽  
Absorption Capacity ◽  
Atomic Scale ◽  
Strengthening Effect ◽  
Pore Collapse ◽  
Out Of Plane

The mechanical behavior of nanocomposites consisting of highly ordered nanoporous nickel (HONN) and its carbon nanotube (CNT)-reinforced composites (CNHONNs) subjected to a high temperature of 900 K is investigated via molecular dynamics (MD) simulations. The study indicates that, out-of-plane mechanical properties of the HONNs are generally superior to its in-plane mechanical properties. Whereas the CNT shows a significant strengthening effect on the out-of-plane mechanical properties of the CNHONN composites. Compared to pure HONNs, through the addition of CNTs from 1.28 wt‰ to 5.22 wt‰, the weight of the composite can be reduced by 5.83‰ to 2.33% while the tensile modulus, tensile strength, compressive modulus and compressive strength can be increased by 2.2% to 8.8%, 1% to 5.1%, 3.6% to 10.2% and 4.9% to 10.7%, respectively. The energy absorption capacity can also be improved due to the existence of CNTs. Furthermore, the MD simulations provide further insights into the deformation mechanism at the atomic scale, including fracture in tension, pore collapse in compression and local changes in lattice structures due to stacking faults.

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