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The vibrational density of states of the 0.95 g/cmodeldel is strikingly similar to monolayer amorphous graphene.
The nature of elastic constants in solids holds a great importance to elucidate the microscopic nature interatomic bonding, equations of state, and vibrational density of states.
To this end, we make a connection with Raman experiments by calculating the vibrational density from molecular-dynamics simulation.
Mean square displacement (MSD), vibrational density of state (VDOS) and atomic movement in designed YSZ and other samples were also investigated.
Here, we show that the vibrational density of states (VDOS) contains information on the structure of carbon nanotubes, particularly at low frequencies.
Analysis of the vibrational density of states has revealed a general reduction of the vibrational intensities, in particular of the mode at 53 THz.
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The difference between the vibrational entropies, calculated from the generalized vibrational density-of-states, which have been determined for both fictive temperatures, shows that the contribution from the vibrational entropy to the total entropy change, when moving through the potential energy landscape, is small for the two metallic glasses investigated.
The study emphasizes differences in local vibrational densities of states (lVDOS) between perfect and imperfect nanotubes.
Using estimates for the local free energies based on harmonic vibrational densities of states provides a computationally effective framework for predicting trends in structure at finite temperature.
All three MAl12 selenates, where M = Al III), Ga III), or Ge(IV), have similar heat capacities from temperatures (2 to 300) K and similar characteristic Debye temperatures, ΘD, suggesting similar lattice vibrational densities of states.
We observe that the vibrational energy density is a one piecewise constant function.
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