Related papers: Predicting the Curie temperature of ferromagnets u…
The design of efficient electrolysis devices for pure metal production requires accurate data on the properties of the melts used in the process. This work focuses on two key systems for calcium production: the molten Ca-Cu alloy and the…
The Co$_2$Ge$_2$Te$_6$ shows intrinsic ferromagnetic (FM) order, which origins from superexchange interaction between Co and Te atoms, with higher Curie temperature ($T_c$) of 161 K. Co$_2$Ge$_2$Te$_6$ monolayer (ML) is half-metal (HM), and…
We explore the use of characteristic temperatures derived from molecular dynamics to predict aspects of metallic Glass Forming Ability (GFA). Temperatures derived from cooling curves of self-diffusion, viscosity, and energy were used as…
The cubic Laves phases including YFe$_2$, YCo$_2$, ZrFe$_2$, and ZrCo$_2$ are considered as promising candidates for application in hydrogen storage and magnetic refrigeration. While YFe$_2$ and ZrFe$_2$ are ferromagnets, alloying with Co…
We perform a statistical and geometrothermodynamic analysis of three different models of magnetic materials, namely, the translational free model, the spin model, and the mean-field model. First, we derive the fundamental equation for each…
The magnetic properties of dilute magnetic semiconductors (DMS) are calculated from first-principles by mapping the ab initio results on a classical Heisenberg model. It is found that the range of the exchange interaction in (Ga, Mn)N is…
Structural and magnetic properties of the CoMn$_{0.88}$Cu$_{0.12}$Ge compound have been investigated using X-ray diffraction (XRD) and differential scanning calorimetry (DSC) accompanied with investigation of magnetic properties under…
The temperature dependence of thermodynamic and mechanical properties of six fcc transition metals (Ni, Cu, Ag, Au, Pt, Rh) and the alloying behavior of Ag-Au and Cu-Ni are studied using molecular dynamics (MD). The structures are described…
This discussion serves as an introduction to the use of Monte Carlo simulations as a useful way to evaluate the observables of a ferromagnet. Key background is given about the relevance and effectiveness of this stochastic approach and in…
Increased demand for high-performance permanent magnets in the electric vehicle and wind turbine industries has prompted the search for cost-effective alternatives.Discovering new magnetic materials with the desired intrinsic and extrinsic…
We investigate the effect of chemical disorder on the magnetic exchange couplings and the Curie temperature ($T_{\text{c}}$) in L1$_0$-ordered FeNi using first-principles-based calculations. We use supercells to model chemical disorder, to…
We develop a quantitatively predictive theory for impurity-band ferromagnetism in the low-doping regime of GaMnAs and compare with experimental measurements of a series of samples whose compositions span the transition from paramagnetic…
Accurate thermal analysis of composites and porous media requires detailed characterization of local thermal properties in small scale. For some important applications such as lithium-ion batteries, changes in the properties during the…
The discoveries of two-dimensional ferromagnetism and magnetic semiconductors highly enrich the magnetic material family for constructing spin-based electronic devices but with an acknowledged challenge that the Curie temperature (Tc) is…
A series of unprecedentedly wide Curie-temperature windows (CTWs) between 40 and 450 K are realized by employing the isostructural alloying principle for the strongly coupled magnetostructural phase transitions in a single host system. The…
Recently a relationship between the Debye temperature $\Theta_D$ and the superconducting transition temperature $T_c$ of conventional superconductors has been proposed [npj Quantum Materials $\mathbf{3}$, 59 (2018)]. The relationship…
We analyze Curie temperatures of rare-earth transition metal binary alloys with machine learning method. In order to select important descriptors and descriptor groups, we introduce newly developed subgroup relevance analysis and adopt the…
The critical temperature for magnetic order comprises a crucial property of any magnetic material and ranges from a few Kelvin in certain antiferromagnets to 1400 K in ferromagnetic Co. However, the prediction of critical temperatures based…
Predictive models of thermodynamic properties of mixtures are paramount in chemical engineering and chemistry. Classical thermodynamic models are successful in generalizing over (continuous) conditions like temperature and concentration. On…
High-throughput computational and experimental design of materials aided by machine learning have become an increasingly important field in material science. This area of research has emerged in leaps and bounds in the thermal sciences, in…