scholarly journals Correction to “Atomistic Simulation of Gas Uptake and Interface-Induced Disordering in Solid Phases of an Organic Ionic Plastic Crystal”

2019 ◽  
Vol 123 (8) ◽  
pp. 1881-1881
Author(s):  
Vinay S. Kandagal ◽  
Fangfang Chen ◽  
Jennifer M. Pringle ◽  
Maria Forsyth
Keyword(s):  
Atomistic Simulation ◽  
Plastic Crystal ◽  
Gas Uptake ◽  
Solid Phases

Atomistic Simulation of Gas Uptake and Interface-Induced Disordering in Solid Phases of an Organic Ionic Plastic Crystal

2018 ◽  
Vol 122 (34) ◽  
pp. 8274-8283 ◽  
Author(s):  
Vinay S. Kandagal ◽  
Fangfang Chen ◽  
Jennifer M. Pringle ◽  
Maria Forsyth
Keyword(s):  
Atomistic Simulation ◽  
Plastic Crystal ◽  
Gas Uptake ◽  
Solid Phases

Neutron Scattering in 3,3-Dimethyl-2-Butanol and 2,3-Dimethyl-2-Butanol

2006 ◽  
Vol 112 ◽  
pp. 89-92 ◽  
Author(s):  
Ewa Juszyńska ◽  
M. Massalska-Arodź ◽  
J. Mayer ◽  
Ireneusz Natkaniec ◽  
J. Krawczyk ◽  
...  
Keyword(s):  
Solid State ◽  
Neutron Scattering ◽  
Boson Peak ◽  
Plastic Crystal ◽  
Incoherent Neutron Scattering ◽  
Group Position ◽  
Solid Phases ◽  
Incoherent Neutron

Influence of the OH group position in the molecule on solid state polymorphism was found. Dynamics in solid phases of two dimethyl butanols were studied by inelastic incoherent neutron scattering. In glass of plastic crystal the boson peak was detected.

The Effects of Vacancies and their Mobility on the Dynamic Heterogeneity in 1,3-Dimethylimidazolium Hexafluorophosphate Organic Ionic Plastic Crystal

2021 ◽  
Author(s):  
Hyungshick Park ◽  
Chung Bin Park ◽  
Bong June Sung
Keyword(s):  
Long Range ◽  
Plastic Crystal ◽  
Dynamic Heterogeneity ◽  
Plastic Crystals ◽  
Solid Phases ◽  
Translational Order

Organic ionic plastic crystals (OIPCs) are the crystals of electrolytes with a long-range translational order. The rotational modes of ions in OIPCs are, however, activated even in solid phases such...

Atomistic Simulation Study of Controlled Nanostructure Patterning

2003 ◽  
Vol 775 ◽  
Author(s):  
Byeongchan Lee ◽  
Kyeongjae Cho
Keyword(s):  
Diffusion Barrier ◽  
Atomistic Simulation ◽  
Degrees Of Freedom ◽  
Embedded Atom Method ◽  
Surface Kinetics ◽  
Bulk Properties ◽  
Embedded Atom ◽  
Kinetics Of ◽  
Dissociation Barrier ◽  
Strain Dependent

AbstractWe investigate the surface kinetics of Pt using the extended embedded-atom method, an extension of the embedded-atom method with additional degrees of freedom to include the nonbulk data from lower-coordinated systems as well as the bulk properties. The surface energies of the clean Pt (111) and Pt (100) surfaces are found to be 0.13 eV and 0.147 eV respectively, in excellent agreement with experiment. The Pt on Pt (111) adatom diffusion barrier is found to be 0.38 eV and predicted to be strongly strain-dependent, indicating that, in the compressive domain, adatoms are unstable and the diffusion barrier is lower; the nucleation occurs in the tensile domain. In addition, the dissociation barrier from the dimer configuration is found to be 0.82 eV. Therefore, we expect that atoms, once coalesced, are unlikely to dissociate into single adatoms. This essentially tells that by changing the applied strain, we can control the patterning of nanostructures on the metal surface.

Atomistic simulation of the uniaxial compression of black phosphorene nanotubes

2018 ◽  
Author(s):  
Van-Trang Nguyen ◽  
Minh-Quy Le
Keyword(s):  
Finite Element Method ◽  
Molecular Dynamics ◽  
Finite Element ◽  
Uniaxial Compression ◽  
Critical Stress ◽  
Atomistic Simulation ◽  
Critical Strain ◽  
Bond Breaking ◽  
Black Phosphorene ◽  
Weber Potential

We study through molecular dynamics finite element method with Stillinger-Weber potential the uniaxial compression of (0, 24) armchair and (31, 0) zigzag black phosphorene nanotubes with approximately equal diameters. Young's modulus, critical stress and critical strain are estimated with various tube lengths. It is found that under uniaxial compression the (0, 24) armchair black phosphorene nanotube buckles, whereas the failure of the (31, 0) zigzag one is caused by local bond breaking near the boundary.

Atomistic Simulation of Properties of Ultra-thin Layer of Liquid Argon Compressed Between Diamond Surfaces

2016 ◽  
Vol 8 (1) ◽  
pp. 01028-1-01028-8 ◽  
Author(s):  
A. V. Khomenko ◽  
◽  
D. V. Boyko ◽  
M. V. Zakharov ◽  
K. P. Khomenko ◽  
...  
Keyword(s):  
Thin Layer ◽  
Atomistic Simulation ◽  
Liquid Argon ◽  
Diamond Surfaces

scholarly journals Removal of Tramp Elements within 7075 Alloy by Super-Gravity Aided Rheorefining Method

Metals ◽  
2018 ◽  
Vol 8 (9) ◽  
pp. 701 ◽  
Author(s):  
Lei Guo ◽  
Xiaochun Wen ◽  
Qipeng Bao ◽  
Zhancheng Guo
Keyword(s):  
Heat Treatment ◽  
Liquid Phase ◽  
7075 Aluminum Alloy ◽  
Total Removal ◽  
Tramp Element ◽  
Removal Ratio ◽  
Gravity Coefficient ◽  
Flow Through ◽  
Solid Phases ◽  
7075 Alloy

An investigation was made on the super-gravity aided rheorefining process of recycled 7075 aluminum alloy in order to remove tramp elements. The separation temperatures in this study were selected as 609 °C, 617 °C and 625 °C. And the gravity coefficients were set as 400 G, 700 G, 1000 G. The finely distributed impurity inclusions will aggregate to the grain boundaries of Al-enriched phase during heat treatment. In the field of super-gravity, the liquid phase composed of tramp elements Zn, Cu, Mg et al. will flow through the gaps between solid Al-enriched grains and form into filtrate. Both the weight of filtrate and removal ratio of tramp element improved with the increase of gravity coefficient. The total removal ratio of tramp element decreased with the fall of temperature due to the flowability deterioration of liquid phase. The time for effective separation of liquid/solid phases with super-gravity can be restricted within 1 min.

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