Molecular dynamics simulations on the structures and properties of ε-CL-20-based PBXs ——Primary theoretical studies on HEDM formulation design

Five polymer bonded explosives (PBXs) with the base explosive ε-CL-20 (hexanitrohexaazaisowurtzi- tane), the most important high energy density compound (HEDC), and five polymer binders (Estane 5703, GAP, HTPB, PEG, and F2314) were constructed. Molecular dynamics (MD) method was employed to investigate their binding energies (Ebind), compatibility, safety, mechanical properties, and energetic properties. The information and rules were reported for choosing better binders and guiding formula- tion design of high energy density material (HEDM). According to the calculated binding energies, the ordering of compatibility and stability of the five PBXs was predicted as ε-CL-20/PEG > ε-CL-20/ Estane5703 ≈ε-CL-20/GAP > ε-CL-20/HTPB > ε-CL-20/F2314. By pair correlation function g(r) analyses, hydrogen bonds and vdw are found to be the main interactions between the two components. The elasticity and isotropy of PBXs based ε-CL-20 can be obviously improved more than pure ε-CL-20 crystal. It is not by changing the molecular structures of ε-CL-20 for each binder to affect the sensitivity. The safety and energetic properties of these PBXs are mainly influenced by the thermal capability (C°p) and density (ρ) of binders, respectively.     

Electrical detection of nuclear spin echoes

We show, via a straightforward calculation, that it is feasible to detect nuclear spin echoes in a ferromagnetic thin film by electrical means. The detection scheme is based on the deflection of the electronic magnetization when the nuclear magnetization reforms during an echo. This deflection is observed as a time-dependent magnetoresistive signal.     

Magnetic and electrical transport properties of delta-doped amorphous Ge:Mn magnetic semiconductors

We report on the growth and characterization of delta-doped amorphous Ge:Mn diluted magnetic semiconductor thin films on GaAs (0 0 1) substrates. The fabricated samples exhibit different magnetic behaviors, depending on the Mn doping concentration. The Curie temperature was found to be dependent on both the Mn doping concentration and spacing between the doping layers. A sharp drop in magnetization and rise in resistivity are observed at low temperature in samples with high Mn doping concentrations, which is also accompanied by a negative thermal remanent magnetization (TRM) in the higher temperature range. The temperature at which the magnetization starts to drop and the negative TRM appears show a correlation with the Mn doping concentration. The experimental results are discussed based on the formation of ferromagnetic regions at high temperature and antiferromagnetic coupling between these regions at low temperature.     

Precise measurement of magnetic moment of short-lived β-emitting nuclei12B ( I π=1+, T 1/2=20.18 ms)

The spin polarized β-emitting nuclei¹²B (I ^π=1⁺,T _1/2=20.18 ms) were produced by the nuclear reaction¹¹B(d, p)¹²B and by the selection technique of the incident deuteron energy and the¹²B recoil angle following the nuclear reaction. The nuclear magnetic moment of the short-lived nuclei¹²B was measured by β-NMR with the β-NMR and β-NQR setup established for the first time in China. The nuclear magnetic moment of¹²B was determined to be μ=0.99993±0.00048 nm org=0.99993±0.00048 after the precise correction of the Knight shift.     

Novel radical‐responsive MRI contrast agent based on paramagnetic liposomes

A novel, radical responsive MRI contrast agent based on a gadolinium chelate conjugated to a liposome through a disulfide linker was synthesized, with the aim of pursuing the in vivo mapping of radicals. The liposome was prepared by incorporating a thiol‐activated phospholipid, which was subsequently reacted with a gadolinium chelate containing a free thiol group. The long reorientational motion of the supramolecular adduct endows the paramagnetic agent with a relaxivity significantly higher than that of the free complex. The disulfide bond represents a radical‐sensitive moiety and a large decrease in contrast efficacy (T₁ relaxivity) is shown upon its cleavage. A preliminary assessment of the system was made by means of in vitro gamma‐irradiation and thiol–disulfide bond exchange with dithiothreitol. Both methods showed a clear dose‐dependent decrease in T₁‐relaxivity. Copyright © 2003 John Wiley & Sons, Ltd.     

Optimization of the locations of the loudspeaker and absorption material in a small room

The sound field both in the loudspeaker box and in the room is calculated by an analytical solution of three-dimensional wave equation. It is shown in theory that the amplitude response in small rooms is affected by the following positions: driver position on the front panel of the box, box position in the room, absorption material position in the box and absorption material position on the interior walls of the room. Both our computer prediction and experiments prove that the optimum positions are beneficial to the amplitude response.     

Dynamics of Single-Pulse Echo Signals under the Conditions of Zeeman Switching

The signals of a single-pulse echo (SE) generated on nonresonant excitation of an inhomogeneously broadened two-level system by a radio-frequency pulse (RFP), against the background of which a magnetic video pulse (MVP) of certain length has been switched on, have been described analytically. It is established that under the conditions of such excitation several SE signals are formed whose generation moments are determined by the duration and amplitudes of the RFP and MVP. The amplitudes of some of these signals depend on the Rabi frequency according to a quadratic law, and the amplitudes of others depend on this frequency according to a biquadratic law. It has been established that the mechanism underlying the appearance of these signals is associated with zero beats arising as a result of superposition of the magnetization fluctuations at variable frequencies and at a frequency of detuning from resonance. It is shown that in the limiting case, where the RFP duration considerably exceeds the duration of the MVP or is comparable with it, the number of SE signals decreases to two. Theoretical results on the formation of SE and the dependence of the amplitude of these signals on the MVP amplitude agree with the experimental data on NMR pulsed signals in ferromagnetic materials.     

FeCoB-SiO2磁性纳米颗粒膜的微波电磁特性

采用交替沉积磁控溅射工艺制备了超薄多层的FeCoB SiO2 磁性纳米颗粒膜 .利用x射线衍射仪、扫描探针显微镜、透射电子显微镜分析了薄膜的微结构和形貌特征 .采用振动样品磁强计、四探针法、微波矢量分析仪及谐振腔法测量薄膜试样的磁电性能和微波复磁导率 .重点对SiO2 介质相含量、薄膜微结构对电磁性能产生重要影响的机理做了分析和探讨 .结果表明 :这类FeCoB SiO2 磁性纳米颗粒膜具有良好的软磁性能和高频电磁性能 ,2GHz时的磁导率 μ′高于 70 ,可以应用于高频微磁器件或微波吸收材料的设计     

Li(AlxCo1-x)O2晶体中Co3+电子态的变化及对结构演化的影响

研究了应用于锂二次电池正极的新型高能量密度存贮材料Li(AlxCo1-x)O2 (x=01—05)的磁性.发现Al3+的掺杂可导致Co3+中d电子自旋态发生变化，即有部分d电子进入高自旋态.伴随Co3+中电子状态的改变，材料结构演化也发生了相应变化，表现为c/a比增大明显减缓，较好地解释了材料结构对Vegard定律的正偏离.这对材料的微观结构与性能设计具有重要意义. 关键词： 锂电池材料 Li（AlxCo1-x）O2 磁性 自旋态 结构演化     

Standardization of Methods for Characterizing the Surface Geometry of Solids

Since a comprehensive survey published in 1999 [1] much work was done in standardizing measuring methods to characterize the surface geometry of dispersed and/or porous solids and to certify reference materials. The present paper is an extension of a short communication [2]. It gives a survey on existing standards and reports on new drafts and proposals.