相关论文: Melting Si: beyond density functional theory

We demonstrate the cooling of a microwave mode at 2872 MHz through its interaction with optically spin-polarized NV$^-$ centers in diamond at zero applied magnetic field, removing thermal photons from the mode. By photo-exciting (pumping) a…

We discuss the application of the static path plus random phase approximation (SPA+RPA) and the ensuing mean field+RPA treatment to the evaluation of entanglement in composite quantum systems at finite temperature. These methods involve…

We performed first-principles molecular dynamics calculations for lithium using the projector augmented waves method and the generalized gradient approximation as exchange-correlation energy. The melting curve of lithium was computed using…

The thermal properties of bulk copper are investigated by performing ab initio DFT and DFPT calculations and using the quasiharmonic approximation for the free energy. Using both the LDA and the GGA for the exchange-correlation potential,…

We present a simple, fast, and reliable method to compute the melting curves of materials with ab initio molecular dynamics. It is based on the two-phase thermodynamic model of [Lin et al., J. Chem. Phys. 119, 11792 (2003)] and its improved…

Laser melting, such as that encountered during additive manufacturing (AM), produces extreme gradients of temperature in both space and time, which in turn influence microstructural development in the material. Qualification and model…

Here we investigate the temperature-dependent non-Markovian dynamics of the SiV^- center in diamond, focusing on the roles of low- and high-frequency quasi-localized phonon modes. Low-frequency phonons exhibit stronger electron-phonon…

We have studied the critical temperature of Diluted Magnetic Semiconductors by means of Monte Carlo simulations and Coherent-Potential-Approximation (CPA) calculations. In our model for this syste m, the magnetic ions couple with the…

The investigation of temperature dependence of damping and period of vibrations of HTSC superconductive cylinder of Bi-Pb-Sr-Ca-Cu-O system suspended by a thin elastic thread and performing axial-torsional vibrations in a magnetic field at…

We use extensive classical molecular dynamics simulations to calculate the thermal conductivity of a model silica glass. Apart from the potential parameters, this is done with no other adjustable quantity and the standard equations of heat…

In a multiprocessor system on chip (MPSoC) IC the processor is one of the highest heat dissipating devices. The temperature generated in an IC may vary with floor plan of the chip. This paper proposes an integration and thermal analysis…

Diamond is more and more used as detector material for particle detection. One argument for diamond is its higher radiation hardness compared to silicon. Since various particles have different potential for radiation damage at different…

We explore the scaling description for a two-dimensional metal-insulator transition (MIT) of electrons in silicon. Near the MIT, $\beta_{T}/p = (-1/p)d(\ln g)/d(\ln T)$ is universal (with $p$, a sample dependent exponent, determined…

Normally, understanding the temperature dependent transport properties of strongly correlated electron systems remains challenging task due to complex electronic structure and its variations (around E$_{F}$) with temperature. Here, we…

Silicon-based quantum logic is a promising technology to implement universal quantum computing. It is widely believed that a millikelvin cryogenic environment will be necessary to accommodate silicon-based qubits. This prompts a question of…

We present the results of a large scale molecular dynamics computer simulation in which we investigated the static and dynamic properties of a silica melt in the temperature range in which the viscosity of the system changes from O(10^-2)…

Thermocouples are in widespread use in industry, but they are particularly susceptible to calibration drift in harsh environments. Self-validating thermocouples aim to address this issue by using a miniature phase-change cell (fixed-point)…

The nitrogen-vacancy (NV) center is a well utilized system for quantum technology, in particular quantum sensing and microscopy. Fully employing the NV center's capabilities for metrology requires a strong understanding of the behavior of…

We report quantum ground state cooling of a levitated nanoparticle in a room temperature environment. Using coherent scattering into an optical cavity we cool the center of mass motion of a $143$ nm diameter silica particle by more than $7$…

The radial thermal rectification in the concentric silicon ring from ballistic to diffusive regime is investigated based on the phonon Boltzmann transport equation. In the ballistic and diffusive limits, the analytical solutions prove that…