Materials Literature
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In this work, the partitioning of higher multipole polarizabilities, such as dipole-quadrupole, quadrupole-dipole, and quadrupole-quadrupole polarizabilities, into atomic contributions is studied. Partitioning of higher multipole polarizabilities is necessary in the study of accurate interaction energies where dispers…
4-Amino-4-deoxychorismate lyase (PabC) catalyzes the formation of 4-aminobenzoate, and release of pyruvate, during folate biosynthesis. This is an essential activity for the growth of gram-negative bacteria, including important pathogens such as Pseudomonas aeruginosa. A high-resolution (1.75 Å) crystal structure of P…
The large recovery force and non-linear deformation behaviour resulting from a change in the temperature in shape-memory alloys (SMAs) make them attractive materials for applications in smart materials and structures, as well as actuators. However, SMAs are limited in their application because they cannot support gene…
We investigate the rheological properties of an assembly of inelastic (but frictionless) particles close to the jamming density using numerical simulation, in which uniform steady states with a constant shear rate is realized. The system behaves as a power-law fluid and the relevant exponents are estimated; e.g., the…
1.1 Heat exchangers A heat exchanger is a component used to transfer heat from one medium to another. The media may be separated by a solid wall, so they never mix, or they may be in direct contact (Kakac and Liu 2002). Heat exchangers generally have no external heat nor work interactions and are typically used in the…
We introduce and prove a novel linear response stability theory for spin glasses. The new stability under suitable perturbation of the equilibrium state implies the whole set of structural identities that characterize the spin glass phase.
For the Hirshfeld-I atom in the molecule (AIM) model, associated single-atom energies and interaction energies at the Hartree-Fock level are efficiently determined in one-electron Hilbert space. In contrast to most other approaches, the energy terms are fully consistent with the partitioning of the underlying one-elec…
Boehmite dissolution experiments were conducted at NaOH concentrations of 10 and 12 M to determine whether the increased aluminum solubility at high hydroxide concentration would offset the increase in added sodium, causing a decrease in the amount of sodium added during boehmite dissolution. A shrinking-core dissolut…
A good understanding of the electronic conduction processes through nanocontacts is a crucial step for the implementation of functional nanoelectronic devices. We have studied the current- voltage (I-V) characteristics of nanocontacts between single metallic RuO2 nanowires and contacting Au electrodes, which were pre-…
Graphene that is a single hexagonal layer of carbon atoms with very high intrinsic charge carrier mobility (more than 200 000 cm 2 /Vs at 4.2 K for suspended samples; During last few years, significant advancement has been made in preparation of large-area graphene. The lateral sizes of substrates for graphene layers…
Atmospheric-pressure glow plasmas in air or other gases are attractive for industrial plasma processing, but attempts to obtain large-volume plasmas are plagued with filamentation due to transverse plasma instability. A method to prevent transverse instability of DC glow discharges using a resistive barrier is present…
Abstract Inclusion complexes that comprise β‐cyclodextrin (β‐CD) and trimethyl(ferrocenylmethyl)ammonium iodide (1) have been prepared by codissolution of the host and guest in ethanol/water, accompanied by either conventional heating at 40 °C for 26 h (to give 2) or microwave‐assisted heating for 30 min (to give 3).…
To grow epitaxial Si films with atomic- and electronic-level perfection, a high-temperature chemical vapor deposition (CVD) process (>1000 °C) has been generally employed. To reduce the growth temperature below 600 °C but keeping a high deposition rate, other energy sources than thermal heating are required. Atmospher…
Catalytic layers of polymer electrolyte membrane fuel cell (PEMFC) electrodes are usually composed of platinum nanoparticles dispersed on an electron conductive carbon support, which can undergo several degradation processes like dissolution of Pt and carbon corrosion under PEMFC working conditions. In this context, t…
A novel low-temperature Cu-Cu bonding approach called the insertion bonding technique has been developed. This technique hinges on the introduction of a tangential pressure at the metal-metal interface, which leads to a high localized plastic deformation that is essential for bond formation. Through finite element mod…
In the present work we have reported the results of investigations on local structures of e-beam evaporated (Gd2O3-SiO2) composite thin films by synchrotron based EXAFS measurements. The evolution of local structure in the case of the Gd2O3-SiO2 system is found to be different from the HfO2-SiO2 system reported by us…
We show that water penetrates into the silicate glass matrix during stress corrosion fracture by probing what is stored under the fracture surface using neutron reflection. The concentration profile determined for two different values of the external loading exhibits a region close to the fracture surface where the wa…
This paper presents a thermal analysis of permanent-magnet synchronous reluctance machines (PM-SRM). Particular focus is put on the rotor and two lumped parameter (LP) thermal models of the rotor are implemented and evaluated. The results of the two LP thermal models are compared to thermal simulations using the finit…
Rare earth complexes hold a promising future in light-emitting devices owing to their strong and sharp luminescence with very high quantum efficiency. Here we report an effective yet very simple way to study and eventually enhance the optoelectronic performance of an organic light emitting device (OLED) based on europ…
The steady state and time-resolved photoluminescence (PL) spectra of cubic AlxGa1-xN have been measured for 0 < x < 1. The intensity of the room temperature PL increases by an order of magnitude when the AlN content increases from x = 0 to x = 0.95. Additionally, the PL decay slows down with the decrease of temperatur…