Thermophysical Properties of L1<sub>0</sub> FeNi

Pandya, N.Y.; Mevada, Adwait; Gajjar, P. N.

doi:10.1166/asl.2016.8037

Cited by 3 publications

(4 citation statements)

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“…11, the computed Grüneisen parameters are plotted for the different temperature values at pressure P  0 for B1, B2 and B3 phases of AlSi. Grüneisen parameter varies from 2.095 to 2.173 for B1-AlSi, 0.333 to 0.334 for B2-AlSi and 1.838 to 1.873 for B3-AlSi with the temperature variation from 0 K to 1073 K. A little change in g with temperature agrees well with Grüneisen's assumption [25].…”

Section: Resultssupporting

confidence: 77%

“…The normalized volume-pressure diagram of B1, B2 and B3 phases of AlSi at room temperatures show that the unit cell volume decreases smoothly and no abrupt change occurs with the increase in pressure up to 40 GPa. This further reveal that the crystal structure of the B1, B2 and B3 phases of AlSi are stable up to a pressure of 40 GPa [25].…”

Section: Resultsmentioning

confidence: 55%

“…The bulk modulus is nearly a constant when T  100 K. However, it decreases linearly with the increase in temperature T, when T  100 K. The Bulk modulus decreases 9.67 %, 0.05 % and 7.14 % for B1, B2 and B3 phases, respectively, as temperature increases from 0 to 1073 K. This can be linked with the thermal expansion of the material [25]. It can be seen that  increases rapidly with the increase in temperature at low temperature region up to 400 K and then increases smoothly at high temperatures.…”

Section: Resultsmentioning

confidence: 95%

“…It is seen that CP values are slightly higher (and hence overlapping) than CV. Values of CP are slightly higher than values of CV,which can be explained by the relation between CP and CV as CP -CV  (α 2 vBVT); with αv, B, V and T are the coefficient of volume thermal expansion, bulk modulus, volume and absolute temperature, respectively [25].…”

Section: Resultsmentioning

confidence: 96%

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Lattice Dynamic and Thermophysical Properties of AlSi (Silumine) Alloy: A DFT Study

Suthar¹,

Pandya²,

Mevada³

et al. 2021

J. Nano- Electron. Phys.

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The present paper reports a comprehensive first-principles calculation of the structural, electronic and thermophysical properties of B1, B2 and B3 phases of AlSi (Silumine) alloy using plane-wave pseudopotential density functional theory (DFT). PAW type pseudopotential with the exchange correlation of Perdew-Burke-Ernzerhof (PBE) are used to compute properties of B1, B2 and B3 phases of AlSi alloy. Our computed equilibrium lattice constants are in excellent agreement with the reported results. To investigate the structural phase transitions beween different phases of AlSi alloy, volume dependence of energy and pressure dependence of enthaply are studied for B1, B2 and B3 phases of AlSi alloy. Further, the electronic band structure along with the total electronic density of states of B1, B2 and B3 phases of AlSi alloy are calculated at the ground states. Behaviour of the total electronic density of states of B1, B2 and B3 phases of AlSi is also studied with the increase in pressure up to 100 GPa. In addition, various finite temperature/pressure thermophysical properties such as the room temperature thermal equation of state, isothermal bulk modulus, coefficient of thermal expansion, heat capacity at constant volume and pressure, Debye temperature and Grüneisen parameter are computed for B1, B2 and B3 phases of AlSi alloy using quasi harmonic Debye model. Conclusions based on the structural, electronic and thermophysical properties of B1, B2 and B3 phases of AlSi alloy are summarized.

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Section: Resultssupporting

confidence: 77%

Section: Resultsmentioning

confidence: 55%

Section: Resultsmentioning

confidence: 95%

Section: Resultsmentioning

confidence: 96%

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