Related papers: Effects of transmutation elements in tungsten
The development of novel functional materials in experimental labs combined with computer-based compound simulation brings the vision of materials design on a microscopic scale continuously closer to reality. For many applications interface…
Path-integral molecular dynamics simulations based on density functional theory employing exchange-correlation density functionals capable of treating nonlocal van der Waals (vdW) interactions self-consistently provide a remarkably accurate…
Hydrogen isotope (HI) retention poses a key issue for tungsten (W)-based plasma-facing materials (PFMs) in fusion devices, where microstructures such as dislocations (DLs) and grain boundaries (GBs) play a dominant role. Existing…
The effect of strain on the resistivity and thermopower of ferromagnetic manganites has been examined based on the model that incorporates the electron-lattice interaction through the Jahn-Teller effect and an effective hopping determined…
Two different ab initio potential energy surfaces are employed to investigate the efficiency of the rotational excitation channels for the polar molecular ion HeH$^+$ interacting with He atoms. We further use them to investigate the quantum…
We demonstrate electrical control of ferromagnetism in field-effect transistors with a trilayer quantum well (QW) channel containing an ultrathin n-type ferromagnetic semiconductor (In,Fe)As layer. A gate voltage is applied to control the…
MoTe$_2$ is an exfoliable transition metal dichalcogenide (TMD) which crystallizes in three symmetries, the semiconducting trigonal-prismatic $2H-$phase, the semimetallic $1T^{\prime}$ monoclinic phase, and the semimetallic orthorhombic…
The phase stability and transformation between hexagonal close-packed (hcp) {\alpha}-phase and body-centered cubic (bcc) \b{eta}-phase in titanium (Ti) alloys are critical to their mechanical properties and manufacturing processes for…
Properties of transition metal (TM) doped single wall (8,0) SiC nanotube is investigated using first principles density functional theory as implemented within quantum espresso code. The properties studied are electronic, optical, and…
Controlling the stacking of van der Waals (vdW) materials is found to produce exciting new findings, since hetero- or homo- structures have added the diverse possibility of assembly and manipulated functionalities. However, so far, the…
The Nernst effect, the generation of a transverse electric voltage in the presence of longitudinal thermal gradient, has garnered significant attention in the realm of magnetic topological materials due to its superior potential for…
In this work, the contributions from $\gamma W$-exchange in neutron $\beta$ decay are estimated at the amplitude level. Using a general form for the electromagnetic (EM) form factors (FFs) of the proton, the EM FFs of the neutron, and the…
Materials used to study nuclear fusion can retain atmospheric helium unless pretreated before an experiment. Understanding helium outgassing is important for accurate diagnostics in experiments surrounding nuclear fusion. The presence of…
We present experimental data providing evidence for the formation of transient ($\sim 20~\mu$s) plasmas that are simultaneously weakly magnetized (i.e., Hall magnetization parameter $\omega \tau > 1$) and dominated by thermal pressure…
The present study investigates the partial substitutions of Mn and Cu for Fe in the TiFe-system to gain better understanding of the role of elemental substitution on its hydrogen storage properties. The TiFe0.88-xMn0.02Cux (x = 0, 0.02,…
Nuclear modification factor predicts whether a medium is formed in a collision system or not. One may verify, if scaling of momentum (transverse) distribution from heavy-ion systems with incoherent superposition of number of binary…
Effect of doping with H and W on the properties of V2O5 and VO2 derived from V2O5 gel has been studied. It is shown that the treatment of V2O5 in low-temperature RF hydrogen plasma for 1 to 10 min. leads to either hydration of vanadium…
The diverse electronic properties of transition metal chalcogenides can be very sensitive to crystal imperfections. A new crystal growth technique, known as horizontal flux transport, offers a route to improved crystal quality. By refining…
We investigated the effects of paramagnetic (PM) fluctuations on the thermochemistry of the MnO(100) surface in the oxygen evolution reaction (OER) using the "noncollinear magnetic sampling method \textit{plus} $U$" (NCMSM$+U$). Various…
Fusion excitation function of $^{35}$Cl + $^{130}$Te system is measured in the energy range around the Coulomb barrier and analyzed in the framework of the coupled-channels approach. The role of projectile deformation, nuclear structure,…