- First‐principles lattice dynamics calculations of the phase boundary ...🔍
- Study of lattice vibration and thermal conductivity of BiCuSeO from ...🔍
- First principles lattice dynamics and thermodynamic properties of ...🔍
- A first|principles lattice dynamical study of type|I🔍
- First|principles calculations of thermal🔍
- First principles study on the lattice thermal conductivity of🔍
- Thermal conductivity and lattice dynamics of thermoelectric ...🔍
- An efficient and accurate framework for calculating lattice thermal ...🔍
First|principles calculations of lattice dynamics and thermal ...
First‐principles lattice dynamics calculations of the phase boundary ...
First-principles lattice dynamics calculations of the phase boundary between β-Si3N4 and γ-Si3N4 at elevated temperatures and pressures.
Study of lattice vibration and thermal conductivity of BiCuSeO from ...
Study of lattice vibration and thermal conductivity of BiCuSeO from first-principles calculations ... Article PDF. Download to read the full ...
First principles lattice dynamics and thermodynamic properties of ...
The calculated lattice constants and predicted relative phase stabilities (α>κ>θ>γ) at 0 K and 0 GPa are consistent with experimental values and ...
A first-principles lattice dynamical study of type-I, type-II, and type ...
Thermal expansion is indirectly taken into account through performing calculations for several lattice constant around the equilibrium one. The ...
First-principles calculations of thermal, electrical, and thermoelectric ...
... lattice thermal conductivity Nat. Commun. 5. [82] Li W and Mingo N 2014 Lattice dynamics and thermal conductivity of skutterudites. ${\mathrm{CoSb}}_{3}$ and ...
First principles study on the lattice thermal conductivity of - HAL
studied lattice dynamic and thermodynamic properties of β-Ga2O3 from first principles calculations.27 Santia et al. investigated lattice thermal ...
Thermal conductivity and lattice dynamics of thermoelectric ...
In addition, our first-principles calculations show that high-frequency phonons (optical modes) contribute much less to the scattering process ...
An efficient and accurate framework for calculating lattice thermal ...
Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations. J. Phys.: Condens.
First‐principles lattice dynamics calculations of the phase boundary ...
In this study, we address the pressure–temperature phase diagram of silicon nitride and, explicitly, compute the thermal properties of β- and γ- ...
Lattice Dynamics in Temperature-driven and Photo-induced Phase ...
It is difficult to explain the observed effects of phonon anharmonicity without using first-principles calculations, for instance to obtain renormalized second- ...
First principles analysis of lattice dynamics for Fe
Chapters 5 and 6 discuss first principles calculations and inelastic x-ray scattering measurements of phonons at room temperature in the tetragonal phase of ...
A First-Principles Investigation - American Chemical Society
Low Lattice Thermal Conductivity and Anisotropic Thermal Transport Properties of the Layered BiAgOTe Material in Consideration of ...
First-Principles Study of the Lattice Dynamics of K2SO4
Also, first- principles lattice-dynamics calculations for the static room-temperature structure clearly revealed the structur- al ...
Thermal conductivity and resistivity - Wikipedia
The reciprocal of thermal conductivity is called thermal resistivity. The defining equation for thermal conductivity is ...
Third law of thermodynamics - Wikipedia
The third law of thermodynamics states that the entropy of a closed system at thermodynamic equilibrium approaches a constant value when its temperature ...
First Principle Study on the Z-Type Characteristic Modulation of GaN ...
The lattice mismatch energy (Emiscoh) associated with the GaN/g-C3N4 is expressed by the following equation [39]: Emiscoh = E(g-C3N4)a1 + E(GaN)a2 − E(g-C3N4) ...
Important Questions for Class 11 Chemistry Chapter 6 - BYJU'S
There is no energy transfer as heat or work in an isolated system,. so w=0 and q=0. According to the first law of thermodynamics-. Δ U = q + w = 0 + 0 ...
Electrical and Computer Engineering (ECE) - UCSD Catalog
... calculation, and thermal considerations, Snubber circuits. Prerequisites: ECE 121A. ECE 125B. Introduction to Power Electronics II (4). Design and control of ...
Thermal equilibrium and the concept of temperature, zeroth law of thermodynamics, heat, work and internal energy. The first law of.
Dynamics of uniform circular motion ... Heat, temperature, thermal expansion ... calculation of lattice enthalpy. Covalent ...