Bulk modulus and its pressure derivatives of cuprous halides
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Pseudopotential
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Pseudopotential
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Crystal (programming language)
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The common description of the electrostatic force, F(x)=−q∇φ(x), provides an incomplete description of the force on the charge q at a point x when the charge itself induces additional fields, e.g., image charges, polarizations, etc. The equation may be corrected through the introduction of a “pseudopotential” formalism. Exploration of some of the elementary properties of the pseudopotential demonstrates its essential simplicity. This simplicity allows it to be incorporated directly into dynamics calculations. We explicitly evaluate the pseudopotential in a number of simple but important cases including the sphere, parallel plates, the rectangular prism, and the cylindrical box. The pseudopotential formalism may be expanded to include extended charge distributions; in this latter form we are able to directly apply the results to experimental measurements.
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Pseudopotential
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The oil bulk modulus influences the characteristics of shock absorbers. The modulus changes with the change of pressure and tamperature. In the literature, it is always assumed to be a constant. But there is no exploration. In the modeling, the bulk modulus is considered in this paper. And computer simulation is carried out for constant or changeable bulk modulus. For invalidation, simulation and experiments are compared. The simulation results are identical with the experiment results. The simulation time for constant is shorter than that for changeable one. This shows that constant bulk modulus is more suitable for sedation. According to the results of hydraulic control systems, Be = 7000 x 105 Pa is a suitable constant.
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In view of requirements for better position accuracy, response time and stability of hydraulic system, it is more important than ever to pay attention to bulk modulus of hydraulic oil. The effects of the bulk modulus of hydraulic oil on system performance are analyzed. Based on the theoretical model, studies on the effects of air content, pressure and temperature on bulk modulus are done though simulation. An online measuring device of bulk modulus of hydraulic oil is designed according to the definition of bulk modulus. The simulation and experiment results show that the method of analysis and measurement of bulk modulus provided is very useful to confirming the oil bulk modulus in real hydraulic system.
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Structural energies of the three heavy alkali metals, namely K, Rb and Cs, have been calculated in the energy-independent model pseudopotential formalism. For K and Cs, BCC structure is found to have the lowest energy. For Rb, although the BCC phase is favoured over the FCC phase, it is seen to have an energy higher than the HCP phase, but with a relatively small difference. The results of this work have been compared with those from other pseudopotential calculations. An attempt has also been made to compute the structure with the lowest energy for different polymorphs of Cs.
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An energy independent model pseudopotential formalism for calculating the electronic structure of metals is developed so that uncertainties in the determination of the model potential parameters, such as those occurring in the Heine-Abarenkov type model potential due to the energy dependence, can be avoided. A model potential, in general more suitable than the square-well potential, with parameters determined by fitting to the energy levels of the low-lying atomic valence states is presented and is used in the construction of the model pseudopotential for the applications to metals. An expression for the form factor, including the effective mass and exchange-correlation effects, is derived in a way consistent with the proposed model pseudopotential.
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