Test of transferability of the evanescent core pseudopotential from solid state to liquid state

2002 ◽  
Vol 66 (1) ◽  
Author(s):  
R. Albaki ◽  
J.-F. Wax ◽  
J.-L. Bretonnet
Keyword(s):  
2002 ◽  
Vol 17 (1) ◽  
pp. 52-59 ◽  
Author(s):  
N.F. Gao ◽  
Y. Miyamoto

The joining of a Ti3SiC2 ceramic with a Ti–6Al–4V alloy was carried out at the temperature range of 1200–1400 °C for 15 min to 4 h in a vacuum. The total diffusion path of joining was determined to be Ti3SiC2/Ti5Si3Cx/Ti5Si3Cx + TiCx/TiCx/Ti. The reaction was rate controlled by the solid-state diffusion below 1350 °C and turned to the liquid-state diffusion controlled with a dramatic increase of parabolic rate constant Kp when the temperature exceeded 1350 °C. The TiCx tended to grow at the boundarywith the Ti–6Al–4V alloy at a higher temperature and longer holding time. TheTi3SiC2/Ti–6Al–4V joint is expected to be applied to implant materials.


2015 ◽  
Vol 17 (15) ◽  
pp. 10209-10217 ◽  
Author(s):  
Benjamin Yancey ◽  
Sergey Vyazovkin

Nanoconfinement accelerates the liquid state trimerization of potassium and rubidium dicyanamide but decelerates the solid state trimerization of sodium dicyanamide.


2015 ◽  
Vol 2015 ◽  
pp. 1-36 ◽  
Author(s):  
Wei Li ◽  
Lei Wang ◽  
Quanzhu Yao ◽  
Qiaoyong Jiang ◽  
Lei Yu ◽  
...  

We propose a new optimization algorithm inspired by the formation and change of the cloud in nature, referred to as Cloud Particles Differential Evolution (CPDE) algorithm. The cloud is assumed to have three states in the proposed algorithm. Gaseous state represents the global exploration. Liquid state represents the intermediate process from the global exploration to the local exploitation. Solid state represents the local exploitation. The best solution found so far acts as a nucleus. In gaseous state, the nucleus leads the population to explore by condensation operation. In liquid state, cloud particles carry out macrolocal exploitation by liquefaction operation. A new mutation strategy called cloud differential mutation is introduced in order to solve a problem that the misleading effect of a nucleus may cause the premature convergence. In solid state, cloud particles carry out microlocal exploitation by solidification operation. The effectiveness of the algorithm is validated upon different benchmark problems. The results have been compared with eight well-known optimization algorithms. The statistical analysis on performance evaluation of the different algorithms on 10 benchmark functions and CEC2013 problems indicates that CPDE attains good performance.


1974 ◽  
Vol 29 (3) ◽  
pp. 462-468
Author(s):  
N. C. Haider

The temperature dependence of optical absorptions in liquid Na is calculated. The electron energy values are obtained to second order in perturbation theory which are then used to determine the electron density of states. The density of states plots show some structure similar to those noted in the solid state. The optical conductivity in the liquid state is found to increase with the temperature as in the solid state. The present calculation for the optical conductivity gives a rather sharp peak around ħ ω = 1.7 eV. These results are in better agreement with the existing experimental results


2010 ◽  
Vol 63 (4) ◽  
pp. 533 ◽  
Author(s):  
Robin D. Rogers

The fields of Crystal Engineering, the study and engineering of the crystalline solid state of materials, and Ionic Liquids, the study and engineering of the liquid state of salts that typically melt below 100, would seem at first glance polar opposites, but are they?


2014 ◽  
Vol 937 ◽  
pp. 64-69
Author(s):  
Ming Yang ◽  
Xin Ma ◽  
Ming Yu Li

The coarsening behavior of Cu6Sn5 grains formed at the Sn37Pb/Polycrystalline Cu interface is investigated in terms of their orientation evolution during solid-state aging. The results show that the coarsening behavior of the interfacial Cu6Sn5 grains during solid-state aging are quite different from that during liquid-state soldering. The occurrence of the coarsening in the solid-sate reaction is caused by the different surface energies between two adjacent grains. In addition, the texture morphologies of the interfacial grains affect their coarsening rates. In particular, the interfacial Cu6Sn5 grains formed at 200 oC exhibit a texture with the [0001] direction normal to the interface after 16 days of aging at 150 oC, and the formation of this texture accelerates the coarsening process of the interfacial Cu6Sn5 grains.


2010 ◽  
Vol 8 (4) ◽  
pp. 953-962 ◽  
Author(s):  
Vivek Sinha ◽  
Renu Chadha ◽  
Honey Goel ◽  

AbstractThe purpose of this study was to explore the utility of hydroxypropyl-β-cyclodextrin (HP-β-CD) systems in forming inclusion complexes with the anti-rheumatic or anti-arthritic drug, etodolac (EDC), in order to overcome the limitation of its poor aqueous solubility. This inclusion system achieved high solubility for the hydrophobic molecule. The physical and chemical properties of each inclusion compound were investigated. Complexes of EDC with HP-β-CD were obtained using the kneading and co-evaporation techniques. Solid state characterization of the products was carried out using Fourier transform infrared spectroscopy (FT-IR), differential scanning calorimetry (DSC), powder X-ray diffraction (XRD) and Scanning electron microscopy (SEM). Studies in the solution state were performed using UV-Vis spectrophotometry and 1H-NMR spectroscopy. Phase solubility profiles with HP-β-CD employed was found to be AL type. Stability constants (Kc) from the phase solubility diagrams were calculated indicating the formation of 1:1 inclusion complex. Stability studies in the solid state and in liquid state were performed; the possible degradation by RP-HPLC was monitored. The dissolution studies revealed that EDC dissolution rate was improved by the formation of inclusion complexes.


1966 ◽  
Vol 44 (8) ◽  
pp. 853-860 ◽  
Author(s):  
G. Handfield ◽  
M. D'Amboise ◽  
M. Bourgon

The electrical conductivity of germanium(II) sulfide in the liquid state has been measured with a capillary-type cell. Both a-c. and d-c. methods were used. The conductivity of liquid GeS increases regularly with tempersature from 1.33 Ω−1 cm−1 at 664 °C to 2.52 Ω−1 cm−1 at 705 °C. The experimental facts lead to the conclusion that GeS remains a semiconductor in the liquid state with a conduction band situated at 2.5 eV above the valence band.The energy gaps of GeS, SnS, and PbS in the solid state are compared with those of the corresponding liquids. It is concluded that these sulfides, in the liquid state, have structures very similar to that of the solids. Liquid PbS has a structure somewhat similar to that of metals. In the case of SnS and GeS, heating and melting are accompanied by a gradual loosening of the double layers which constitute the crystals. Accumulated evidence indicates that the molecular character of SnS and GeS is increased on going from the solid to the liquid state.


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