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 charge-flipping algorithm (CFA) is a member of the diverse family of dual-space iterative phasing algorithms. These algorithms use alternating modifications in direct and reciprocal space to find a solution to the phase problem. The current state-of-the-art CFA is reviewed and it is put in the context of related d…
As a result of substantial instrumental automation and the continuing improvement of software, crystallographic studies of biomolecules are conducted by non-experts in increasing numbers. While improved validation almost ensures that major mistakes in the protein part of structure models are exceedingly rare, in ligan…
The spin crossover properties and the domains of existence of the different phases for the [Fe(PM-BIA)2(NCS)2] complex are obtained from combining DFT and classical molecular dynamics (MD). The potential energy surfaces expressed in the Morse form for Fe-N interactions are deduced from molecular DFT calculations and t…
We report on the observation of the giant spin-polarized photocurrent in HgTe/HgCdTe quantum well (QW) of critical thickness at which a Dirac spectrum emerges. Exciting QW of 6.6 nm width by terahertz (THz) radiation and sweeping magnetic field we detected a resonant photocurrent. Remarkably, the position of the reson…
We demonstrate dynamical spin injection into p-type germanium (Ge) at room temperature (RT) using spin pumping. The generated pure spin current is converted to a charge current by the inverse spin-Hall effect (ISHE) arising in the p-type Ge sample. A clear electromotive force due to the ISHE is detected at RT. The spi…
Semiconductor heterostructured seeded nanorods exhibit intense polarized emission, and the degree of polarization is determined by their morphology and dimensions. Combined optical and atomic force microscopy were utilized to directly correlate the emission polarization and the orientation of single seeded nanorods. F…
The control of micro-organisms responsible for pre- and postharvest diseases of agricultural products, mainly viruses and fungi, is a problem that remains unresolved, together with the environmental impact of the excessive use of chemicals to tackle this problem. Current efforts are focused on the search for efficient…
The charge-flipping algorithm (CFA) is a member of the diverse family of dual-space iterative phasing algorithms. These algorithms use alternating modifications in direct and reciprocal space to find a solution to the phase problem. The current state-of-the-art CFA is reviewed and it is put in the context of related d…
BACKGROUND: It is imperative to eliminate bacteria present in water in order to avoid problems in healthy. Escherichia coli and Salmonella typhi bacteria are two common pollutants and they are developing resistance to some of the most used bactericide. Therefore new biocide materials are being tested. Thus, gold nanop…
Peptide/protein-polymer conjugates make up a new class of soft matter comprising natural and synthetic building blocks. They have the potential to combine the advantages of proteins and synthetic polymers (i.e., the precise chemical structure and diverse functionalities of biomolecules and the stability and processabi…
Colloidal particles are microscopic solid particles suspended in a fluid. Colloids are small enough that thermal energy drives their dynamics and ensures equilibration with the suspending fluid; they are also large enough that their positions and motions can be measured precisely using optical methods, such as light s…
A statistical mechanical-based theory is used to develop the equation of state for the molecular fluid of H(2). We incorporate in this equation the long-range correlations through the double Yukawa potential, dimerization of the H(2) molecule by treating the fluid as a hard convex body fluid, and first-order quantum c…
Holmquist-Johnson-Cook(HJC)本构模型在混凝土冲击爆炸数值模拟中应用广泛, 该文将其推广到岩石类材料中, 为合理确定岩石材料的HJC本构模型参数, 从塑性屈服面理论出发, 得到了特征化黏性强度系数与帽盖模型参数的关系。基于三轴围压实验、Hugoniot实验和Hopkinson压杆实验数据, 分别得到了Salem石灰岩极限面参数、压力参数和率效应参数的取值。基于上述模型参数利用有限元程序LS-DYNA对Salem石灰岩的弹体侵彻实验进行了数值模拟, 侵彻深度的计算结果与实验数据对比表明了本文所提出的HJC本构模型参数确定方法的合理性和有效性。以相对侵彻深度为目标函数, 对Salem石灰岩HJC模型所涉及的19…
Coplanar waveguides (CPWs) with 8 nm to 50 nm thick gold films are fabricated and characterized up to 40 GHz. Such film thicknesses are comparable with or thinner than electron mean-free-path (MFP) in gold. In this size effect regime, skin effect is negligible. The measured results show that the CPWs have less dispers…
We provide a systematic analytical method for preferable orientation calculations of spherical fullerenes in single-walled boron nitride nanotubes. Based on the reaction energy calculations, both the minimum entering radii and the energetically favorable radii for encapsulating C(60), C(80) and C(180) molecules in bor…
Ordered mesoporous carbon supported molybdenum oxides were synthesized via ultrasound-assisted assembly method. Heat-treatment was conducted subsequently to obtain molybdenum composites with various oxidation states. The supercapacitive performance of the composites was significantly improved compared to that of virgi…
A series of silicon-rich oxide (SRO) and erbium-doped SRO (SROEr) films imbedded with structural tunable silicon nanoclusters (Si NCs) have been fabricated using sputtering followed by post-annealing. The coalescence of Si NCs is found in the films with large Si excess. The energy transfer rate between Si NCs and Er3+…
One kind of micro structures, ZnO mushrooms, have been synthesized by self-assembled method on single silicon substrates with Au catalyst assisted thermal evaporation of ZnO and active carbon powders. Cathodoluminescence for individual ZnO micro mushroom has been invested. The luminescence from the center region is at…
The objective of the present study was to fabricate a gold nanoparticle crosslinked chitosan (Ch/AuNPs) composite film simple and to evaluate its use as a carrier matrix for L929- fibroblasts. L929- fibroblasts were seeded either onto Ch or Ch/AuNPs scaffolds. The Ch/AuNPs scaffold exhibited a higher cell proliferatio…
Abstract An amphiphilic graft copolymer using chitosan (CS) as a hydrophilic main chain and poly(lactic‐ co ‐glycolic acid) (PLGA) as a hydrophobic side chain is prepared through an emulsion self‐assembly synthesis. CS aqueous solution is used as a water phase and PLGA in chloroform is served as an oil phase. A water‐…