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。
The interactions of He and vacancy defects with ⟨111⟩ screw dislocations in alpha-Fe were modeled using molecular statics, molecular dynamics and transition state energy determinations. The formation energies and binding energies of interstitial He atoms, vacancies and He–vacancy clusters near and within dislocations…
A recently developed interatomic potential for He–Fe interactions includes a three-body term to stabilize the interstitial He defect in the tetrahedral position in the Fe bcc matrix and provides simultaneous agreement with the forces and energies of different atomic configurations as computed by first principles. This…
Atomic scale modeling was used to study the structure and energy of {110} twist grain boundaries (TWGBs) with various coincidence-site-lattice misorientations in α-iron. The small angle {110} TWGB contains a hexagonal dislocation network of two sets of 1/2⟨111⟩ and one set of ⟨001⟩ dislocation segments. The ⟨001⟩ segm…
In the fusion irradiation environment, helium created by transmutation will play an important role in the response of structural materials to neutron radiation damage. Atomistic simulations have been carried out using a new three-body He–Fe interatomic potential and the results have been compared to those obtained usi…
Voids and He bubbles are strong obstacles to dislocation, which induce hardening and loss of ductility. In Fe, molecular dynamics simulation is used to investigate the basic mechanisms of the interaction between a moving edge dislocation and a void or He bubble, as a function of its He content, temperature, interatomi…
In this study rice husk reinforced polyethylene composites and their test specimens were manufactured using a single screw extruder and an injection molding machine, respectively. Raw rice husk was chemically treated with benzene diazonium salt in alkali, acidic, and neutral media, in order to improve in the mechanica…
Generalized stacking fault energies and screw dislocation core structures are reported for two sets of models for iron: density functional theory (DFT) calculations and empirical potentials. A thorough comparison between various DFT approaches has been performed on {110} and {211} γ-lines, which give a first indicatio…
Strengthening due to voids can be a significant effect of radiation damage in metals, but treatment of this by elasticity theory of dislocations is difficult when the mechanisms controlling the obstacle strength are atomic in nature. Results are reported of atomic-scale modelling to compare edge dislocation–void intera…
In a recent letter (F. Carbone, P. Baum, P. Rudolf, et al., Physical Review Letters 100, 2008), graphite is reported to undergo a c-axis contraction on the time scale of few picoseconds (ps) after ultrafast pulsed laser excitation. The velocity of lattice contraction depended on the laser fluence. Furthermore, the lat…
We study the impact of geometry on magnetostatically frustrated single-domain nanomagnet arrays. We examine square and hexagonal lattice arrays, as well as a brickwork geometry that combines the anisotropy of the square lattice and the topology of the hexagonal lattice. We find that the more highly frustrated hexagona…
In single crystals of SrTiO_3, a paramagnetic center, characterized by S = 3/2 and hyperfine interaction with an I = 5/2 nuclear spin has been observed in the temperature range 4.2K-77K by means of EPR. The impurity center is attributed to Mo3+. No additional line splitting in the EPR spectrum due to the 105K phase tr…
Understanding charge transport in organic semiconductors in large electric fields is relevant to many applications. We present transport measurements in organic field-effect transistors based on poly(3-hexylthiophene) and 6,13-bis(triisopropyl-silylethynyl) pentacene with short channels, from room temperature down to…
Displacement cascades with wide ranges of primary knock-on atom (PKA) energy and mass in iron were simulated using molecular dynamics. New visualisation techniques are introduced to show how the shock-front dynamics and internal structure of a cascade develop over time. These reveal that the nature of the final damage…
Can the background affect a foreground target in distant, low-quality imagery? If it does, it might occur in our mind, or perhaps it may represent a snapshot of our early vision. An affirmative answer, one way or another, may affect our current understanding of this phenomena and potentially for related applications.…
Abstract A novel Ni(II) complex with an asymmetric monoamino–monoamidato–dithioether square-planar coordination (1) was prepared as a model compound of the active center of NiSOD and characterized by spectroscopic and electrochemical methods. EPR data indicate that the structure of complex 1 in the high oxidation stat…
Holistic lithography is needed to cope with decreasing process windows and is built on three pillars: Scanner Tuning, Computational Lithography and Metrology & Control. The relative importance of stability to the overall manufacturing process latitude increases. Overlay and focus stability control applications are imp…
Purpose The purpose of this paper is to study the inhibitive and adsorptive characteristics of ethanol extract of Gongronema latifolium (GL) as a corrosion inhibitor for mild steel in H 2 SO 4 . Design/methodology/approach The inhibition efficiencies were evaluated using thermometric and hydrogen evolution techniques.…
Abstract We demonstrate templateless synthesis of nanoporous gold (Au) sponge by chemical reduction of Au species in aqueous solution. The obtained Au nanosponges exhibit surface-enhanced Raman scattering activity.
Purpose The purpose of this paper is to investigate stress corrosion cracking (SCC) for 304, 316, and 321 stainless steels in petroleum‐processing environments. Design/methodology/approach Sensitized austenitic stainless steels were subjected to a microstructure investigation and electrochemical test. Stressed sensiti…
Abstract Purpose – The purpose of this paper is to develop a novel organic‐inorganic (epoxy‐silicone) hybrid resin for application in heat resistant surface coatings. Design/methodology/approach – Thermally stable aminosilicone resin was prepared by using diethoxydimethyl silane and γ‐aminopropyldiethoxy methyl silane…