Vibrational entropy
Vibrational entropy contributions to the phase stability of iron- and aluminum-based binary alloys
... the vibrational entropy of spinodal decomposition in FeCr was unex- pectedly ...the vibrational entropy on the critical temperature of spinodal decomposition was ...
121
Influence of vibrational entropy on the concentrations of oxygen interstitial clusters and uranium vacancies in nonstoichiometric UO2
... of vibrational free energies to calculate the free energies of formation of point defects and clusters of oxygen interstitials, and use a dilute defect model to calculate the concentrations of defects as a ...
17
The defect chemistry of UO2±x from atomistic simulations
... defect vibrational entropies from empirical po- tentials (see section ...no vibrational entropy contributions (included for comparison with previous work [28, 33]), or contributions from b) the ...
17
The phonon entropy of metals and alloys : the effects of thermal and chemical disorder
... The vibrational entropy of eight chemically disordered Cu-Au alloys was measured using inelastic neutron scattering.. The analysis of the phonon entropy of a disordered alloy was perform[r] ...
137
High Temperature Electron-Phonon and Magnon-Phonon Interactions
... of vibrational thermodynamics impacted by thermal magnetic ...magnetic entropy, as seen in the left panel of ...the vibrational entropy from the magnon-phonon interaction was reported to help ...
107
Vibrational and Thermodynamic Properties of Layered LiM0.5Ni0.5O2 (M=Mn, Co) Cathode Materials for Li Ion Batteries
... the vibrational contribution is ...of vibrational Helmholtz free energy (F), vibrational entropy (S), and constant-volume specific heat capacity (Cv), the integration over the phonon density ...
10
Relic Entropy Generation, Relic Gravitons and Relic Neutrinos, and Interaction of Both in CMBR
... In an e mail communication, Subir Sarkar summarized the situation up as follows. “Quasi-DeSitterspacetime during inflation has no "lumpiness" - it is necessarily very smooth. Nevertheless one can generate ...
5
Molesky_unc_0153D_16297.pdf
... lowest-energy vibrational states contribute to the ...the vibrational phase and detection wavelength was used to assign wavepacket motions to the electronic ground state in ...higher-energy ...
414
Impact of Vibration Models on Heat Capacities of HF Molecular System
... to vibrational molar heat capacity C υ exp and to reduce complicacies from intermolecular interactions in actual gas, the chosen temperature range (1000 K ~ 3000 K) should be suitable to ideal gas that there are ...
7
Electron and species populations behind high enthalpy shock waves in low density air
... sum of the electronic excitation energy and kinetic energy of the electrons activation energy of the reaction vibrational energy per unit mass of species s at temperature Te vibrational [r] ...
283
Vibrational properties of MgZn2
... advantages and disadvantages. The ab-initio results in har- monic approximation are the most accurate, and show ex- cellent agreement with experiment. Another advantage of that method is the possibility of calculating ...
5
Vibrational modes of Skyrmions
... five vibrational modes excite the zero modes of the individual alpha particles: their relative motion and ...sixth vibrational mode includes vibrational modes of the alpha particles themselves as the ...
12
Vibrational Spectroscopic Investigations of 4-Nitropyrocatechol
... harmonic vibrational wavenumbers were calculated theoretically using Gaussian03 ...from vibrational wavenumber calculations are used to assign vibratinal bands found in IR and Raman spectra of the studied ...
5
Ft-Ir, Ft-Raman and Quantum Chemical Calculations of 1-Phenylpyrrole
... 22. Roeges, N.P.G., A Guide to the Complete Interpretation of the Infrared Spectra of Organic Structures, Wiley, New York (1994). 23. Varsanyi, G., Assignments of vibrational Spectra of Seven Hundred Benzene ...
6
Black Hole Entropy from Entropy of Hawking Radiation
... the entropy of Hawking radiation to be approximately 4/3 of the entropy of initial ...the entropy via black body radiation by a factor of 4/3 is true for any thermodynamic system, and is not a ...
9
Electron hole pair induced vibrational energy relaxation of rhenium catalysts on gold surfaces
... The reported results provide fundamental understanding of energy transfer that may limit the effectiveness of catalysts mounted on metals. Diminished vibrational lifetimes due to EHPs will negatively affect the ...
21
Vibrational quantisation of the B = 7 Skyrmion
... The simplest idea is to only include the zero modes of the Skyrmion, those transformations which leave the static energy unchanged. These are the rotations and isorotations (we stay in the centre of mass frame, allowing ...
18
Vibrational dynamics in strong glasses: the cases of densified v-SiO2 and v-SiSe2
... The generalized vibrational density of states of a coherent scatterer can be calculated in the framework of the incoherent approximation. The incoherent ap- proximation assumes that the interference term in the ...
165
Prevention of DDOS Attack Using Entropy Variations in Data Centers
... the entropy variation techniques. Entropy variation is used to find out the source of the attack with the help of entropy variation in dynamic by calculating the packet size, which shows the ...
8
Computational Studies on 2(2-Hydroxyphenyl)-N-phenyl Nitrone, Spectroscopic Investigation.
... 311++G(d,p) level of theory, along with experimental FT-IR and FT-Raman spectra respectively. From the PED calculation it was clear that many vibrations have a high degree of mixing with other modes, therefore we provide ...
8