Lattice Thermal Transport of homogeneous Cage‐Like Compounds Cu3VSe4 and Cu3NbSe4: Interplay of the Phonon Phase Space, Anharmonicity, and Atomic Mass

ChemPhysChem ◽  
2021 ◽  
Author(s):  
Dingfeng Yang ◽  
Junzhu Yang ◽  
Xuejun Quan ◽  
Bin Zhang ◽  
Guoyu Wang ◽  
...  
2017 ◽  
Vol 95 (22) ◽  
Author(s):  
Tribhuwan Pandey ◽  
Carlos A. Polanco ◽  
Lucas Lindsay ◽  
David S. Parker

2021 ◽  
pp. 100566
Author(s):  
Junyan Liu ◽  
Timothy A. Strobel ◽  
H. Zhang ◽  
Doug Abernathy ◽  
Chen Li ◽  
...  

Author(s):  
Timothy S. English ◽  
John C. Duda ◽  
Donald A. Jordan ◽  
Pamela M. Norris ◽  
Leonid V. Zhigilei

Thermal transport at the interface between Lennard-Jones crystals is explored via non-equilibrium molecular dynamics simulations. The vibrational properties of each crystal are varied by changing the atomic mass of the crystal. By applying a constant thermal flux across the two-crystal composite system, a steady-state temperature gradient is established and thermal boundary conductance at the interface between the crystals is calculated via Fourier’s law. With the material properties of the two crystals fixed, thermal boundary conductance can be affected by an intermediate layer inserted between the two crystals. It is found that when the interstitial layer atomic mass is between those values of the crystals comprising the interface, interfacial transport is enhanced. This layer helps bridge the gap between the different vibrational spectra of the two materials, thus enhancing thermal transport, which is maximized when the interstitial layer atomic mass approaches the average mass of the two fixed crystals. The degree of enhancement depends on the vibrational mismatch between the interstitial layer and the crystals comprising the interface, and we report an increase in thermal boundary conductance of up to 50%.


1966 ◽  
Vol 25 ◽  
pp. 46-48 ◽  
Author(s):  
M. Lecar

“Dynamical mixing”, i.e. relaxation of a stellar phase space distribution through interaction with the mean gravitational field, is numerically investigated for a one-dimensional self-gravitating stellar gas. Qualitative results are presented in the form of a motion picture of the flow of phase points (representing homogeneous slabs of stars) in two-dimensional phase space.


Author(s):  
P.G. Pawar ◽  
P. Duhamel ◽  
G.W. Monk

A beam of ions of mass greater than a few atomic mass units and with sufficient energy can remove atoms from the surface of a solid material at a useful rate. A system used to achieve this purpose under controlled atmospheres is called an ion miliing machine. An ion milling apparatus presently available as IMMI-III with a IMMIAC was used in this investigation. Unless otherwise stated, all the micro milling operations were done with Ar+ at 6kv using a beam current of 100 μA for each of the two guns, with a specimen tilt of 15° from the horizontal plane.It is fairly well established that ion bombardment of the surface of homogeneous materials can produce surface topography which resembles geological erosional features.


Author(s):  
E.G. Bithell ◽  
W.M. Stobbs

It is well known that the microstructural consequences of the ion implantation of semiconductor heterostructures can be severe: amorphisation of the damaged region is possible, and layer intermixing can result both from the original damage process and from the enhancement of the diffusion coefficients for the constituents of the original composition profile. A very large number of variables are involved (the atomic mass of the target, the mass and energy of the implant species, the flux and the total dose, the substrate temperature etc.) so that experimental data are needed despite the existence of relatively well developed models for the implantation process. A major difficulty is that conventional techniques (e.g. electron energy loss spectroscopy) have inadequate resolution for the quantification of any changes in the composition profile of fine scale multilayers. However we have demonstrated that the measurement of 002 dark field intensities in transmission electron microscope images of GaAs / AlxGa1_xAs heterostructures can allow the measurement of the local Al / Ga ratio.


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