Hard Copper Wetting with Liquid Indium in Ultrahigh Vacuum and Gaseous Medium and Interfacial Energy Calculation at Different Temperature

Author(s):  
M. P. Dokhov ◽  
E. Kh. Sherieva ◽  
M. N. Kokoeva
2019 ◽  
Vol 54 (14) ◽  
pp. 10297-10311 ◽  
Author(s):  
Shenglan Yang ◽  
Jing Zhong ◽  
Jiong Wang ◽  
Lijun Zhang ◽  
George Kaptay

Author(s):  
M.P. Dokhov ◽  
◽  
E.Kh. Sherieva ◽  
M.N. Kokoeva ◽  
◽  
...  

In the article, using the experimental data obtained in recent years on the contact angles and surface energies of solid copper and liquid indium, their interfacial energies are calculated at different temperatures. Knowledge of the interfacial characteristics is dictated by the need to obtain new materials that can operate under extreme conditions. For these and some other purposes in modern engineering and technology, they began, for example, to use high-vacuum brazing of high-temperature metal products using low-temperature metals and alloys. An important role in such processes is played by the interfacial energy at the solid-melt interface, which determines the contact angle: the lower the interfacial energy, the smaller the contact angle, and the smaller the contact angle, the better the processes of soldering, welding and liquid-phase sintering, etc. etc. Unfortunately, until now there is no direct method for measuring the interfacial energy. Therefore, the calculation of this value is an urgent task.


2002 ◽  
Vol 507-510 ◽  
pp. 401-405 ◽  
Author(s):  
Y. Gotoh ◽  
S. Entani ◽  
H. Kawanowa

Author(s):  
G.D. Danilatos

The possibility of placing the specimen in a gaseous medium in the environmental SEM (ESEM) has created novel ways for detection of signals from the beam-specimen interactions. It was originally reported by Oanilatos that the ionization produced by certain signals inside the conditioning medium can be used to produce images. The aim of this report is to demonstrate some of the improvements on the system that have occurred thereafter.Two straight thin wires are aligned horizontally along a direction normal to the direction of the two scintillator backscattered electron (BSE) detectors reported elsewhere. The free end tips of the wires are about 5 mm apart halfway between the specimen and the pressure limiting aperture (specimen distance = 1.5 mm). The other end of each wire makes contact with the input of a separate preamplifier, two of which are built inside a shielding aluminum stub. With such a design, interference noise from the input cables is avoided.


Author(s):  
Christina Schindler ◽  
Hannah Baumann ◽  
Andreas Blum ◽  
Dietrich Böse ◽  
Hans-Peter Buchstaller ◽  
...  

Here we present an evaluation of the binding affinity prediction accuracy of the free energy calculation method FEP+ on internal active drug discovery projects and on a large new public benchmark set.<br>


2019 ◽  
Author(s):  
David Wright ◽  
Fouad Husseini ◽  
Shunzhou Wan ◽  
Christophe Meyer ◽  
Herman Van Vlijmen ◽  
...  

<div>Here, we evaluate the performance of our range of ensemble simulation based binding free energy calculation protocols, called ESMACS (enhanced sampling of molecular dynamics with approximation of continuum solvent) for use in fragment based drug design scenarios. ESMACS is designed to generate reproducible binding affinity predictions from the widely used molecular mechanics Poisson-Boltzmann surface area (MMPBSA) approach. We study ligands designed to target two binding pockets in the lactate dehydogenase A target protein, which vary in size, charge and binding mode. When comparing to experimental results, we obtain excellent statistical rankings across this highly diverse set of ligands. In addition, we investigate three approaches to account for entropic contributions not captured by standard MMPBSA calculations: (1) normal mode analysis, (2) weighted solvent accessible surface area (WSAS) and (3) variational entropy. </div>


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