Succession of stacking disorder in hard-sphere crystal under gravity by Monte Carlo simulation

We have performed Monte Carlo simulations of hard spheres under gravity. Vertical boundaries are hard walls, which are well separated with each other. On the other hand, the periodic boundary condition is imposed in the horizontal direction. While we previously reported enhancement of crystallinity as well as crystallization due to gravity, we present here the results that demonstrate the succession of a defect. In case that the crystal formed at the bottom of the system includes kinds of stacking disorders for the (0 0 1) growth, twin band structure develops as mediated by a stacking disorder succeeded in the crystal formed in the fluid region which lies on the bottom crystal. In case that the stacking structure along horizontal direction changes from the (1 1 1) stacking to the (0 0 1) stacking, twin band structure in the (0 0 1) stacking region develops as succeeded in the crystal transformed. The twin band structure also becomes large with its upward growth.     

Noninvasive prenatal paternity testing by maternal plasma DNA sequencing in twin pregnancies

SNPs, combined with massively parallel sequencing technology, have proven applicability in noninvasive prenatal paternity testing (NIPPT) for singleton pregnancies in our previous research, using circulating cell-free DNA in maternal plasma. However, the feasibility of NIPPT in twin pregnancies has remained uncertain. As a pilot study, we developed a practical method to noninvasively determine the paternity of twin pregnancies by maternal plasma DNA sequencing based on a massively parallel sequencing platform. Blood samples were collected from 15 pregnant women (twin pregnancies at 9–18 weeks of gestation). Parental DNA and maternal plasma cell-free DNA were analyzed with custom-designed probes covering 5226 polymorphic SNP loci. A mathematical model for data interpretation was established, including the zygosity determination and paternity index calculations. Each plasma sample was independently tested against the alleged father and 90 unrelated males. As a result, the zygosity in each twin case was correctly determined, prior to paternity analysis. Further, the correct biological father was successfully identified, and the paternity of all 90 unrelated males was excluded in each case. Our study demonstrates that NIPPT can be performed for twin pregnancies. This finding may contribute to development in NIPPT and diagnosis of certain genetic diseases.     

不同孪晶界密度银纳米线拉伸形变行为的分子动力学模拟

采用分子动力学方法模拟了不同孪晶界密度银纳米线的拉伸形变行为, 分析了孪晶界密度对多晶银纳米线屈服强度、弹性模量和塑性变形机理的影响. 在弹性形变区域, 孪晶界的存在对杨氏模量变化的作用不明显. 在塑性形变阶段, 首先从表面边缘开始产生位错成核, 然后延伸并受阻于孪晶界. 在进一步拉伸载荷作用下, 孪晶界将作为位错源产生新的位错. 模拟结果表明, 银纳米线的强度与孪晶界和晶粒的尺寸有关. 孪晶界密度较小(即晶粒的长径比大于1)时, 此纳米线的屈服应力比单晶纳米线还要小, 只有当孪晶界密度较大时(即晶粒的长径比小于1), 孪晶界使得纳米线得到强化. 综合分析了孪晶界和晶粒尺寸对银纳米线的影响, 为构建高强度金属纳米线打下基础. 最后讨论了温度和拉伸速度对孪晶纳米线屈服应力所产生的影响, 随着温度的升高, 孪晶纳米线与单晶纳米线的屈服应力差先升高后趋于稳定; 当拉伸速度逐渐增大, 孪晶纳米线与单晶纳米线的屈服应力差先稳定后增大.     

孔洞和孪晶界对银纳米线形变行为联合影响的分子动力学模拟

Based on molecular dynamics simulations, the plastic deformation of silver nanowires under uniaxial tension has been studied systematically. In this paper, the mechanical properties of [111]-oriented twin nanowires with different hole sizes have been studied. The existence of holes has no effect on the elastic deformation stage. The hole on the twin boundary has two main roles in the plastic deformation stage. During the initial stages of plastic deformation, the main function of the hole is to produce new dislocations as dislocation sources at small hole sizes.Upon increasing the hole size, the main effect changes to stop dislocation slip. During the late stages of plastic deformation, the two functions of the hole complement each other, upon increasing the hole size, the function of the hole as dislocation sources becomes obvious, leading to weakening of the plasticity of the nanowires.     

Parametric generation of twin photons in vertical triple microcavities

We report the realization of a monolithic vertical-cavity, surface emitting micro-optical parametric conversion nanostructure, triply resonant with the parametric frequencies, allowing parametric oscillation with ultra-low pump power threshold. The photonic phase-space naturally provides triple resonance for the parametric frequencies, together with built-in cavity phase-matching for the pump wave at normal incidence. Parametric oscillation is observed in both the strong and weak exciton–photon coupling regime, allowing a high operating temperature. Signal and idler beams can be collected at 0° or at finite angles. The OPO threshold is low enough to envisage the realization of an all-semiconductor electrically-pumped micro-parametric oscillator. To cite this article: C. Diederichs et al., C. R. Physique 8 (2007).     

The effect of HCP on the formation of twin boundaries and dislocations in Ni–Co alloys

In this study, molecular dynamics (MD) was used to simulate the rapid solidification process of Ni₄₇Co₅₃ and Ni₄₈Co₅₂ alloys at a cooling rate of 10¹² K/s. The effects of HCP on the formation of twin boundaries and dislocations in two Ni–Co alloys are studied. It is found that the difference of HCP clusters is the main effect that producing discrepancies on microstructure of two alloys. The number of HCP clusters accounted for 9.23% in Ni₄₇Co₅₃ alloy. They are regularly arranged to form the number of single-layer twin boundaries, and each twin boundary ends in a dislocation. The FCC and HCP structures coexist in the same atomic layers, which is easy to create dislocations. The relatively standard FCC crystal and only 0.32% HCP clusters are formed in Ni₄₈Co₅₂ alloy at 300 K. That small amount of HCP clusters are dispersed on the surface, and cause the formation of dislocation in the border with FCC clusters.     

Analysis of temperature and stress field in Al alloy’s twin wire welding

By analyzing the shape of twin wire welding’s arcs and the track of droplets’ transition, the phenomenon that the twin wire welding’s fore arc and rear arc all deflect to the middle of the two arcs is found. Based on this the double ellipsoid heat source model is amended, and a heat source model which can apply to calculate the twin wire welding’s temperature field is put forward. This model is testified by actual experiment of temperature sampling. By comparing the temperature field of twin wire welding and single wire welding, the results show that twin wire welding has slender weld pool the end part of which is ellipsoid, and its HAZ is narrower than that of single wire welding. So, twin wire welding can not only reduce the Al alloy generating hot crack, but can also weaken the “overaging” softened phenomenon of heat treated strengthening Al alloy. In the end, the evolving rules of 2219 Al alloy’s longitudinal and transverse stress when welded with twin wire welding are analyzed.     

Rheological and mechanical properties of nylon 6 nanocomposites submitted to reprocessing with single and twin screw extruders

The effect of multiple extrusions on nanostructure and properties of nylon 6 nanocomposites was investigated. Nanocomposites at different silicate loadings were produced by melt compounding and submitted to further reprocessing by using single and twin screw extruders. Rheological, morphological and mechanical analyses were carried out on as-produced and reprocessed samples in order to explore the influence of the number and the type of extrusion cycles on silicate nanodispersion.Rheological measurements, correlated to TEM analyses, were used to probe the nanoscale arrangement developed with the reprocessing as well as the thermo-mechanical degradation involving both the neat matrix and the organoclay. The results have shown that the reprocessing by single screw extruder can modify the initial morphology since the re-agglomeration of the silicate layers can occur. On the other hand, a better nanodispersion was observed in the hybrids reprocessed by twin screw extruder. This was attributed to the additional mechanical stresses able to realizing a dispersive mixing that contributes to avoid re-agglomeration phenomena. The high shear stresses produced with twin screw geometry determined also a significant degradation of neat matrix, principally based on chain scission mechanism.A strong correlation between the rheological behaviour and mechanical properties was observed and all as-produced and reprocessed hybrids showed a substantial enhancement in tensile modulus with the adding of silicate. However, the entity of performance enhancements displayed by the reprocessed hybrids was found to be highly dependent on the degradation of both organoclay and polymer matrix as well as the silicate amount, the number and the type reprocessing.     

Development of cube textured Ni–5 at.%W alloy substrates for coated conductor application using a melting process

Biaxially textured Ni–5 at.%W substrates have been prepared by cold rolling, followed by three different annealing routes. In this paper, the processes of melting Ni and W metals, flat rolling, various annealing methods are described in detail. The Ni–5 at.%W tapes annealed under either high vacuum or flowing Ar (7% H₂) gas were characterized by X-ray pole figures, ODF, EBSD as well as AFM analysis. The texture analysis indicated that as fabricated tapes have a sharp cube texture formed after annealing at a wide temperature range of 800–1100 °C. The high quality of cube orientation on tapes was obtained after a two-step annealing (TSA), where the percentage of the cube texture component was as high as 93.5% within a misorientation angle smaller than 8° from EBSD analysis. Furthermore, it was also observed that the number of twin boundaries in this tape decreased with respect to that of tapes annealed both in vacuum and one-step gas annealing. From AFM on 1 μm² areas, it was concluded that the roughness (RMS) on the tape surface reached 0.98 nm.     

Realization of quantum correlation transfer between twin beams by conditional preparation technique

A conditional quantum correlation transfer is demonstrated experimentally for continuous variables by employing two pairs of twin-beams states. In present paper, the quantum correlation of twin beams is indicated by loss coefficient or “gemellity”, which is the remaining noise on the intensity difference normalized to the shot noise level. The quantum correlation between two initial idler beams with loss coefficient of 0.4 was conditionally transferred from two pairs of initially independent twin beams with loss coefficient of 0.2. A theory of conditional quantum correlation transfer and comparison between experimental results and theoretical prediction are also presented. The experimental results agree with the theory well.