Multiphase tin equation of state using density functional theory

DA Rehn, CW Greeff, L Burakovsky, DG Sheppard… - Physical Review B, 2021 - APS
We perform density functional theory (DFT) calculations of five solid phases and the liquid
phase of tin. The calculations include cold curves of the five solid phases, phonon …

The mole fraction Effect on the elastic properties of the Ge (1-x) Snx alloys

I Touati, HE Doghmane, A Khoualdia… - Physica B: Condensed …, 2024 - Elsevier
The main objective of this work is to quantify the effects of the molar fraction, x, of α-Sn on
certain elastic parameters of the Ge 1-x Sn x alloy, that is, constants Cij, which are directly …

A multi-phase modeling framework suitable for dynamic applications

NR Barton, DJ Luscher, C Battaile, JL Brown… - Metals, 2022 - mdpi.com
Under dynamic loading conditions and the associated extreme conditions many metals will
undergo phase transformations. The change in crystal structure associated with solid–solid …

Electronic topological transitions in cadmium under pressure studied via theoretical and experimental x-ray absorption spectroscopy

JK Hinton, D Schacher, W Lee, GA Smith, E Siska… - Physical Review B, 2024 - APS
An electronic topological transition (ETT) in cadmium below 1 GPa is investigated in situ with
experimental x-ray absorption spectroscopy and projecting calculated core-valence excitons …

Water-cooling diamond anvil cells: An approach to temperature–pressure relation in heated experiments

Y Zhang, Y Wu, Y Han, Y Gao - Review of Scientific Instruments, 2022 - pubs.aip.org
Temperature induced pressure drift in the diamond anvil cell (DAC) is a major issue in high-
pressure high-temperature experiments. It is commonly acknowledged that these drifts …

[HTML][HTML] Calibration and validation of the foundation for a multiphase strength model for tin

T Nguyen, L Burakovsky, SJ Fensin… - Journal of Applied …, 2024 - pubs.aip.org
In this work, the Common Model of Multi-phase Strength and Equation of State (CMMP)
model was applied to tin. Specifically, calibrations of the strength-specific elements of the …

Controlling structural phases of Sn through lattice engineering

CK Edirisinghe, A Rathore, T Lee, D Lee… - arXiv preprint arXiv …, 2024 - arxiv.org
Topology and superconductivity, two distinct phenomena offer unique insight into quantum
properties and their applications in quantum technologies, spintronics, and sustainable …

[PDF][PDF] Sesame 2163: An updated tin equation of state

DA Rehn - 2023 - osti.gov
This writeup summarizes a new tin EOS, which we refer to as SESAME 2163. The new EOS
is very similar to SESAME 2162, containing the β, γ, δ, and ϵ solid phases and the liquid …

[HTML][HTML] Computational study of lattice and thermoelectric properties of Rb2LiTlF6 double perovskite

EK Rugut, NE Maluta - Physica B: Condensed Matter, 2024 - Elsevier
We applied the density functional theory formalism to compute the lattice thermal
conductivity, transport and thermoelectric properties of Rb 2 LiTlF 6 double perovskite in the …

Multi-methodological study of temperature trends in Mössbauer effect in Sn

M Friák, N Masničák, O Schneeweiss… - Computational Materials …, 2022 - Elsevier
We have performed a multi-methodological theoretical study of impact of thermal vibrations
on the Mössbauer effect in the tetragonal β-phase of tin. We have seamlessly combined (i) …