Related papers: Structural transitions of calcium carbonate by mol…
The surface of a Cr2O3 (0001) film epitaxially grown on Cr undergoes an unusual reentrant sequence of structural phase transitions. In order to understand the underlying microscopic mechanisms, the structural and magnetic properties of the…
SrTiO$_{3}$, a quantum paraelectric, becomes a metal with a superconducting instability after removal of an extremely small number of oxygen atoms. It turns into a ferroelectric upon substitution of a tiny fraction of strontium atoms with…
Most transition-metal trihalides are dimorphic. The representative chromium-based triad, CrCl3, CrBr3, CrI3, is characterized by the low-temperature phase adopting the trigonal BiI3 type while the structure of the high-temperature phase is…
Neutron and X-ray diffraction, magnetic susceptibility, and specific heat measurements have been used to investigate the magnetic and structural phase transitions of the spinel system Fe1+xCr2-xO4(0.0<=x<=1.0). The temperature versus Fe…
A broad range of problems associated with phase transitions in systems characterized by the strong interaction between particles and with formation of structures is reviewed. A general phenomenological mean-field model is constructed…
Our aim is to determine the dominant processes and timescales for the ionisation equilibrium of calcium under solar chromospheric conditions. The study is based on numerical simulations with the RADYN code, which includes hydrodynamics,…
The classification of structural phase transitions as displacive or order-disorder in character is usually based on spectroscopic data above the transition. We use single crystal x-ray diffraction to investigate structural correlations in…
We determine the nature of a phase transition in a model describing an interaction of multiple charge density waves in a two dimensional film. The model was introduced by two of the authors in Phys. Rev. B {\bf 108}, 045119 (2023) to…
We investigate calcium carbonate scale formation at high Reynolds numbers in a large pipe rig facility. The calcium carbonate solution is produced from the injection, at a T-joint inlet, of pH-stabilized sodium carbonate and calcium…
CaFe$_2$As$_2$ has been synthesized and found to form in the tetragonal, ThCr$_2$Si$_2$ structure with lattice parameters $a = 3.912(68) \AA$ and $c = 11.667(45) \AA$. Upon cooling through 170 K, CaFe$_2$As$_2$ undergoes a first order,…
The collision cross sections (CCS), momentum transfer cross sections (MTCS), or scattering cross sections (SCS) of an electron neutral pair are important components for computing the electric conductivity of a plasma gas. Larger collision…
Investigating the fate of dissolved carbon dioxide under extreme conditions is critical to understanding the deep carbon cycle in the Earth, a process that ultimately influences global climate change. We used first-principles molecular…
Stacking fault energy dictates phase stability and deformation behavior in Co alloys and WC-Co cemented carbides, yet a quantitative assessment of alloying effects at finite temperatures remains poorly established. By integrating…
We present a coarse molecular-dynamics (CMD) approach for the study of stress-induced structural transformations in crystals at finite temperatures. The method relies on proper choice of a coarse variable (order parameter, observable),…
1T'-TaTe2 exhibits an intriguing first-order structural phase transition at around 170 K. Understanding the electronic structural properties is a crucial way to comprehend the origin of the structural phase transition. We performed a…
We present a theoretical study of solid carbon dioxide up to 50GPa and 1500K using first-principles calculations. In this pressure-temperature range, interpretations of recent experiments have suggested the existence of CO2 phases which are…
We report structural and physical properties of the single crystalline ${\mathrm{Ca}}{\mathrm{Mn}}_{2}{\mathrm{P}}_{2}$. The X-ray diffraction(XRD) results show that ${\mathrm{Ca}}{\mathrm{Mn}}_{2}{\mathrm{P}}_{2}$ adopts the trigonal…
Microbially-Induced Carbonate Precipitation (MICP) involves a series of bio-geochemical reactions whereby microbes alter the surrounding aqueous environment and induce calcium carbonate precipitation. MICP has a broad range of applications,…
Here we report a structural phase transition and its possible competition with superconductivity in the suboxide La$_5$Pb$_3$O. Upon cooling through $T_t$ = 225 K, La$_5$Pb$_3$O transforms from a high-temperature I4/mcm to a low-temperature…
The occurrence of bcc-fcc ($\alpha$-$\gamma$) and fcc-bcc ($\gamma$-$\delta$) phase transitions in magnetic iron stems from the interplay between magnetic excitations and lattice vibrations. However, this fact has never been proven by a…