Materials Literature
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By direct application of stress in molecular statics calculations we identify the stress components that affect the glide of 1/2⟨111⟩ screw dislocations in bcc tungsten. These results prove that the hydrostatic stress and the normal stress parallel to the dislocation line do not play any role in the dislocation glide.…
We discuss the form of the damping of magnetic excitations in a metal near a ferromagnetic instability. The paramagnon theory predicts that the damping term should have the form $Ω/Γ(q)$ with $Γ(q) \propto q$ (the Landau damping). However, the experiments on uranium metallic compounds UGe$_2$ and UCoGe showed that $Γ(…
The phase diagram of the frustrated 2D classical and 1D quantum XY models is calculated analytically. Four transitions are found: the vortex unbinding transitions triggered by strong fluctuations occur above and below the chiral transition temperature. Vortex interaction is short range on small and logarithmic on larg…
The interaction of gold nanoparticles (AuNPs) with cysteine and its derivatives is the basis of a number of bionanotechnologies, and for these, the most important process is aggregation (or antiaggregation), which enables an array of colorimetric detection methods. When AuNPs were functionalized with cysteine, its dim…
The alloying of Pt with Ga delivered from a hydrotalcite-like support was investigated as a strategy to produce bimetallic catalysts for propane dehydrogenation. A series of Pt/Mg(Al,Ga)O x catalysts (2–3 wt % Pt, Ga/Pt molar ratios between 0 and 10) and a model Pt/Ga 2 O 3 catalyst (4 wt % Pt, Ga/Pt molar ratio of 50…
Cell-substrate interface is known to control the cell response and subsequent cell functions. Among the various biophysical signals, grain structure, which indicates the repeating arrangement of atoms in the material, has also proved to play a role of significant importance in mediating the cell activities. Moreover,…
Chitosan (CS) modified silver halide (AgX, X=Cl, Br, I) (CS-AgX) nanoparticles (NPs) were found to possess dual responsive enzyme mimetic activities. In the presence of H2O2, they were able to oxidize various colorimertic dyes, namely, peroxidase-like activity. Upon photoactivation, CS-AgX NPs could also oxidize the t…
We have performed terahertz time-domain magnetospectroscopy by combining a rapid scanning terahertz time-domain spectrometer based on the electronically coupled optical sampling method with a table-top mini-coil pulsed magnet capable of producing magnetic fields up to 30 T. We demonstrate the capability of this system…
Despite its importance in atmospheric science, much remains unknown about the microscopic mechanism of heterogeneous ice nucleation. In this work, we perform hybrid Monte Carlo simulations of the heterogeneous nucleation of ice on a range of generic surfaces, both flat and structured, in order to probe the underlying…
Sodium cobaltate Na x CoO 2 as dopable strongly correlated layered material with a triangular sublattice still poses a challenging problem in condensed matter. The intriguing interplay between lattice, charge, spin, and orbital degrees of freedom leads to a complex phase diagram bounded by a nominal Mott ( x = 0) regi…
The ultrafast structure dynamics and surface transient electric field, which are concurrently induced by laser excited electrons of an aluminum nanofilm, have been investigated simultaneously by the same transmission electron diffraction patterns. These two processes are found to be significantly different and disting…
The two most prominent and ubiquitous features of glasses at low temperatures, namely the presence of tunneling two-level systems and the so-called boson peak in the reduced vibrational density of states, are shown to persist essentially unchanged in highly stabilized glasses, contrary to what was usually envisaged. S…
The magneto-electronic properties of quasi-one-dimensional zigzag graphene nanoribbons are investigated by using the Peierls tight-binding model. Quasi-Landau levels (QLLs), dispersionless Landau subbands within a certain region of -space, are resulted from the competition between magnetic and quantum confinement effe…
This work considers how the properties of hydrogen bonded complexes, D-H....A, are modified by the quantum motion of the shared proton. Using a simple two-diabatic state model Hamiltonian, the analysis of the symmetric case, where the donor (D) and acceptor (A) have the same proton affinity, is carried out. For quanti…
We investigate by first-principles simulations the resonant electron-transfer lifetime from the excited state of an organic adsorbate to a semiconductor surface, namely isonicotinic acid on rutile TiO$_2$(110). The molecule-substrate interaction is described using density functional theory, while the effect of a truly…
We investigate the effect of a direct current on propagating spin waves in a CoFeB/Ta bilayer structure. Using the micro-Brillouin light scattering technique, we observe that the spin wave amplitude may be attenuated or amplified depending on the direction of the current and the applied magnetic field. Our work sugges…
Experimentally it is still challenging to epitaxially grow Bi(111) bilayer (BL) on conventional semiconductor substrate. Here, we propose a substrate of $β-$In$_2$Se$_3$(0001) with van der Waals like cleavage and large band gap of 1.2~eV. We have investigated the electronic structure of BL on one quintuple-layer (QL)…
"Science gateway" (SG) ideology means a user-friendly intuitive interface between scientists (or scientific communities) and different software components + various distributed computing infrastructures (DCIs) (like grids, clouds, clusters), where researchers can focus on their scientific goals and less on peculiariti…
The "IMP Science Gateway Portal" (http://scigate.imp.kiev.ua) for complex workflow management and integration of distributed computing resources (like clusters, service grids, desktop grids, clouds) is presented. It is created on the basis of WS-PGRADE and gUSE technologies, where WS-PGRADE is designed for science wor…
Louis deBroglie's connection between momentum and spatial-frequency vectors is perhaps most viscerally-experienced via the real-time access that electron-diffraction provides to transverse slices of a nano-crystal's reciprocal-lattice. The classic introductory (and/or advanced) physics lab-experiment on microwave Brag…