Surface chemistry of tribochemical reactions explored in ultrahigh vacuum conditions

The thermal decomposition of model extreme-pressure lubricant additives on clean iron was studied in ultrahigh vacuum conditions using molecular beam strategies. Methylene chloride and chloroform react to deposit a solid film consisting of FeCl₂ and carbon, and evolve only hydrogen into the gas phase. No gas-phase products and less carbon on the surface are detected in the case of carbon tetrachloride. Dimethyl and diethyl disulfide react on clean iron to deposit a saturated sulfur plus carbon layer at low temperatures (∼600 K) and an iron sulfide film onto a Fe + C underlayer at higher temperatures (∼950 K). Methane is the only gas-phase product when dimethyl disulfide reacts with iron. Ethylene and hydrogen are detected when diethyl disulfide is used.     

国外复合材料用高级增强纤维的发展现状

本文综述了国外碳纤维、陶瓷、聚芳酰胺、超高分子量聚乙烯、液晶聚合物纤维的发展现状,包括它们的生产能力、消费情况、性能特点,主要生产国和生产公司、产品牌号以及应用领域等,并指出了其生产进展和发展动向。     

Sequence‐Specific Molecular Lithography Towards DNA‐Templated Electronics

Recent advances in the realization of individual molecular‐scale devices [1,2] highlight the integration of individual devices into large‐scale functional circuits as the major challenge. DNA‐programmed assembly is a promising avenue in that direction due to the large amount of information that can be coded into the molecules and the ability to translate that information into physical constructs [3]. Large‐scale DNA‐templated electronics require, however, complex manipulation of double‐stranded DNA (dsDNA) molecules, as well as patterning of the electrical properties instilled to them by, e.g., metallization. To that end, sequence‐specific molecular lithography on single DNA molecules has been developed [4]. This was achieved by harnessing the exquisite homologous recombination process of the RecA protein. Sequence‐specific patterning of the metal coating of DNA molecules, localization of arbitrary labeled molecular objects at any desired dsDNA address without prior modifications, and generation of molecularly accurate stable dsDNA‐dsDNA junctions are demonstrated. The information encoded in the DNA molecules directs the lithographic process in analogy to the masks used in conventional microelectronics. The RecA protein provides the assembling capabilities, as well as the resist function.     

Thin film deposition on a corrugated surface: A molecular dynamics approach

This paper presents the use of molecular dynamics (MD) simulation in the investigation of the surface topography of early-stage film growth on a GMR (giant-magnetoresistance) corrugated structure. The size of the simulated system is limited in order to reduce the computational workload. The numerical model adopts the Morse potential and the Verlet-leapfrog time evolution scheme [R.W. Hockney, 1970; D. Potter, 1972 (Chapter 5). [1]] to describe the atomic interactions which take place between the atoms. The impact energy transferred from the incident atoms to the substrate is modeled by rescaling the atoms within the upper substrate layers. It is found that the important properties of the film-substrate system may be obtained after the deposition of just several atomic layers. The influence of the impact velocity upon the coating parameters is investigated by varying the incident energy of the deposited atoms. The current results indicate that the surface coverage is poor, when atoms are deposited at low incident energies upon a low temperature substrate. At a higher incident energy, the deposited film tends to exhibit a quasi-layer-by-layer growth mechanism, which results in an improved surface coverage. Finally, it is demonstrated that a distinct quasi-fluid behavior is evident on the substrate when the atoms are deposited at high incident energies.     

Tilted superlattice composition profile determined by photoluminescence and thermal disordering

The composition profile of an (AlAs)_1/2(GaAs)_1/2 tilted superlattice is characterized for the first time. The tilted superlattice sample is thermally disordered, and the energy of the direct band gap photoluminescence peak is measured as a function of increasing layer interdiffusion. The shift in the photoluminescence peak energy after completely disordering the tilted superlattice is 39 meV. A theoretical model is used to simulate the change in band gap as a function of layer interdiffusion for several composition profiles. The profile that gives the best fit to the experimental data is chosen. The tilted superlattice composition profile is found to be sinusoidal, varying from Al_0.40Ga_0.60As to Al_0.60Ga_0.40As.     

Ab initio calculations on the mechanism of isobutane and 2-butene alkylation reaction catalyzed by hydrofluoric acid

Ab initio method was employed to determine the mechanism of alkylation reaction of 2-butene with isobutane. The results indicated that 2-butene is rapidly protonated to form sec-butyl carbonium ion, which then reacts with isobutane to form tert-butyl carbonium ion. The resulting carbonium ion is then deprotonated to form isobutene that reacts rapidly with tert-butyl carbonium ion to form trimethylpentane (TMP) carbonium ion. Finally, the TMP⁺ carbonium ion is converted to TMP via the hydride transfer process. The transition states of the interactions were obtained by using the SCAN method (a calculation key word for potential energy surface) first and then the intrinsic reaction coordinates were traced using the Gaussian program. In addition, the energy changes and geometric parameters of the interactions were analyzed. The computed results indicated that the energy barriers are close to or less than zero for the interaction of isobutane with protonated 2-butene or for the interaction of tert-butyl carbonium ion with isobutene, suggesting rapid reaction steps of the carbonium ions. The 2,2,3-TMP is kinetically controlled, while the formation of 2,2,4-TMP is controlled by reaction equilibrium. The calculated results were in good agreement with the experimental results.     

VAc／MMA半连续乳液共聚合的研究：Ⅱ分子量及其分布

以过硫酸铵为引发剂，十二烷基硫酸钠为乳化剂，于７０℃下进行了ＶＡｃ／ＭＭＡ乳液共聚合试验。试验确定了不同组成ＶＡｃ／ＭＭＡ共聚物的Ｍａｒｋ－Ｈｏｕｗｉｎｋ方程参数Ｋ和α值。对ＧＰＣ测试数据处理给出了加料速率，乳化剂量，单体比例及种子与非种子法对分子是及其分布的影响。