Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
We report a study of the oxidation of CO on a gold nanotip in the presence of high electrostatic fields. With the binding energies obtained using density functional theory as a function of the electric field, a simple field-dependent kinetic model based on the Langmuir-Hinshelwood mechanism is set up. We show that the…
The isotropic single-parameter strain-gradient plasticity model of Fleck and Hutchinson (2001 J. Mech. Phys. Solids 49 2245–71) is generalized in order to account for plastic anisotropy in a finite strain elastic–viscoplastic formulation. Plastic anisotropy is introduced through a phenomenological yield surface, which…
An infrared (IR) camera was used to measure the temperature of polymer filaments held in a stream of hot air. Filament diameters of 0.1−4 mm were tested. The air stream velocity and temperature fields were independently measured with a Pitot tube and a thermocouple. Under certain conditions, the air temperatures deter…
The equilibrium and stability of a sessile droplet laid on a spherical substrate in the presence of line tension are studied within a continuum approach. The destabilizing role played by the substrate's curvature is analysed in detail for both positive and negative line tensions. In the former case, several bifurcatio…
Abstract There is a growing interest in the development of new materials through utilization of natural resources. This paper describes evaluation of water leached and alkali treated chopped grass fiber reinforced phenol formaldehyde composite. Here alkali treatment of grass fiber was carried out by varying the concen…
A weakly coupled heterometallic [CuFe] complex has been prepared in which the metal centers are coordinated to a new electroactive ligand. The spin-diverse system delivers distinct ground states upon application of selective redox potentials. Ligand oxidation fosters radical generation, and the initial ground state as…
The companion paper, part I, presents a self-optimizing support system in theory. A pseudo self-optimizing support system is proposed for a rotor-bearing system based on shape memory alloy (SMA). A numerical simulation is given to verify the theoretical model. This paper presents the experimental study to test and ver…
The use of large substituted oligoacenes with dicyanoamido groups as bridging ligands should allow one to design new dinuclear transition metal complexes with relatively strong exchange interactions at very long intermetallic distances. Theoretical methods based on density functional theory predict antiferromagnetic e…
Employing ab initio self-interaction-corrected local-spin-density calculations, we explain the nature of the ferromagnetic, metallic phase of Mn-doped CuO (an antiferromagnetic insulator when undoped), and of its concurrent transitions to a paramagnetic, insulating phase. Mn-induced donor levels enable conduction thro…
Classical constitutive models of phenomenological plasticity/viscoplasticity rely heavily on yield functions to distinguish plastic flow from reversible elastic deformation. Physically based yield functions are utilized here for body-centred cubic (bcc) and face-centred cubic (fcc) types of metal structures in investi…
Crystal structures of recombinant Lactococcus lactis 6-phosphogluconate dehydrogenase (LlPDH) in complex with substrate, cofactor, product and inhibitors have been determined. LlPDH shares significant sequence identity with the enzymes from sheep liver and the protozoan parasite Trypanosoma brucei for which structures…
In this paper, to make a rotor–bearing system pass through the critical speed safely and control its vibration, a self-optimizing support system is proposed, based on shape memory alloy (SMA). In this self-optimizing support system, the SMA springs are used to construct the pedestal bearing for the rotor–bearing syste…
A thin aluminium sheet comprising of large polycrystals is pulled in uniaxial tension and the resulting surface profile is measured in a scanning electron microscope. The surface profile near the grain boundaries reveals a local deformation pattern of width of a few micrometres and is strong evidence for strain gradie…
The geometrical properties of recently synthesised C60 intercalated in graphite have been confirmed by density-functional-based computer simulations. The capability of this material to store molecular hydrogen by physisorption is evaluated. While the material can sieve H2 from heavier molecular gases, our free energy…
Abstract The objective of this paper is to identify which combinations of constituents of heterogeneous catalysts are related to which final products from a large combinatorially generated dataset. To this end, data on the composition of catalysts are combined with a set of four catalytic activities, and analyzed usin…
Molecular dynamics simulations of collision cascades were performed in three spinel oxides with varying inversion, namely normal magnesium aluminate, $\mathrm{Mg}{\mathrm{Al}}_{2}{\mathrm{O}}_{4}$, half-inverse magnesium gallate, $\mathrm{Mg}{\mathrm{Ga}}_{2}{\mathrm{O}}_{4}$, and inverse magnesium indate, $\mathrm{Mg…
In the present report, the competition between dissipative plastic strain gradient effects in the bulk and in an interface is investigated within a strain gradient plasticity framework. The model of the interface is analysed in terms of hardening behaviour and strength for the case of a thin film with an elastic–plast…
Three new linear benzene-fused bis(tetrathiafulvalene) compounds (4–6) were synthesized and characterized. Compounds 4 and 5, comprising branched alkyl chains (2-ethylbutyl and 2-ethylhexyl, respectively), had very good solubility in common organic solvents and were successfully used as p-channel semiconductors in sol…
In this paper, we describe a new procedure to phase transfer large gold nanoparticles (diameters > 45 nm) from aqueous solution to organic solvents. This is accomplished using a covalent amide coupling reaction that incorporates dicyclohexylamine (DCHA) headgroups on the surface of mercaptoacetic acid (MAA) functional…
We measured the local density of states (LDOS) of a quasi-two-dimensional (2D) electron system near point defects on a surface of highly oriented pyrolytic graphite with scanning tunneling microscopy and spectroscopy. Differential tunnel conductance images taken at very low temperatures and in high magnetic fields sho…