scholarly journals Distribution function of the ion microscopic field in strongly coupled ultracold plasma: Molecular dynamics simulations

2021 ◽  
Vol 1787 (1) ◽  
pp. 012045
Author(s):  
A A Bobrov ◽  
S Ya Bronin ◽  
A B Klyarfeld ◽  
D S Korchagin ◽  
B B Zelener ◽  
...  
2021 ◽  
Author(s):  
Xue-Qi Lv ◽  
Xiong-Ying Li

Abstract The melting at the magnesium/aluminum (Mg/Al) interface is an essential step during the fabrications of Mg-Al structural materials and biomaterials. We carried out molecular dynamics simulations on the melting at the Mg/Al interface in a Mg-Al-Mg nanolayer via analyzing the changes of average atomic potential energy, Lindemann index, heat capacity, atomic density distribution and radial distribution function with temperature. The melting temperatures (T m) of the nanolayer and the slabs near the interface are significantly sensitive to the heating rate (v h) over the range of v h≤4.0 K/ps. The distance (d) range in which the interface affects the melting of the slabs is predicted to be (-98.2, 89.9) Å at v h→0, if the interface is put at d=0 and Mg (Al) is located at the left (right) side of the interface. The (T m) of the Mg (Al) slab just near the interface (e.g., d=4.0 Å) is predicted to be 926.8 K (926.6 K) at v h→0, with 36.9 K (37.1 K) below 963.7 K for the nanolayer. These results highlight the importance of regional research on the melting at an interface in the nanolayers consisting of two different metals.


2019 ◽  
Vol 21 (7) ◽  
pp. 4082-4095 ◽  
Author(s):  
Mostafa Abedi ◽  
Gianluca Levi ◽  
Diana B. Zederkof ◽  
Niels E. Henriksen ◽  
Mátyás Pápai ◽  
...  

Excited-state solvation structure (radial distribution function) of transition metal complexes by classical and mixed quantum-classical (QM/MM) molecular dynamics simulations.


2000 ◽  
Vol 638 ◽  
Author(s):  
J.K. Bording ◽  
J. Tafto

AbstractWe show by molecular dynamics simulations, that the radial distribution function of an amorphous material does not change significantly by introducing a considerable volume fraction of nanocrystals. The nanocrystals, embedded in a continuous random network, ensure a certain degree of medium range order in the amorphous material. Our simulations, which are on germanium, show that microcrystals smaller than 2 nm can comprise at least 20 % of the volume without significantly changing the radial distribution function from that of pure continuous random network. By increasing the size of the crystals, without altering the crystal to amorphous volume ratio, the radial distribution changes. The molecular dynamics simulations show that the nanocrystals are unchanged at low temperature. At higher temperature the mobility and critical size of the grains increase, transforming the sub-critical crystalline grains into the surrounding continuous random network matrix.


Soft Matter ◽  
2017 ◽  
Vol 13 (29) ◽  
pp. 5076-5082 ◽  
Author(s):  
Roman Ryltsev ◽  
Nikolay Chtchelkatchev

Using molecular dynamics simulations and new method based on numerical analytical continuation of the radial distribution function, we find universal criterion for dodecagonal quasicrystal formation in one-component systems with two-length-scale potentials.


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