Singularity-free augmented Lagrangian algorithms for constrained multibody dynamics

After a general review of the methods currently available for the dynamics of constrained multibody systems in the context of numerical efficiency and ability to solve the differential equations of motion in singular positions, we examine the acceleration based augmented Lagrangian formulations, and propose a new one for holonomic and non-holonomic systems that is based on the canonical equations of Hamilton. This new one proves to be more stable and accurate that the acceleration based counterpart under repetitive singular positions. The proposed algorithms are numerically efficient, can use standard conditionally stable numerical integrators and do not fail in singular positions, as the classical formulations do. The reason for the numerical efficiency and better behavior under singularities relies on the fact that the leading matrix of the resultant system of ODEs is sparse, symmetric, positive definite, and its rank is independent of that of the Jacobian of the constraint equations. The latter fact makes the proposed method particularly suitable for singular configurations.     

Dispersion in retentive pillar array columns

The method of volume averaging is applied to estimate the Taylor–Aris dispersion tensor of solute advected in columns consisting of ordered pillar arrays with wall retention of the type used in chromatographic separation. The appropriate closure equations are derived and solved in a unit cell with periodic boundary conditions to obtain the dispersion tensor (or the reduced plate height) as a function of the Peclet number (reduced velocity); pillar pattern, shape and size; partition coefficient; and resistance to mass transfer. The contributions of the velocity profile, the wall adsorption, and the mass transfer resistance to the dispersion tensor are identified and delineated. The model is verified by comparing its predictions and obtaining favorable agreement with results of direct numerical simulations and with experimental data for columns containing ordered pillars. The model is then used to study the effect of pillars’ shape and pattern on the longitudinal dispersion coefficient (plate height).     

碳纳米管固相微萃取涂层吸附性能研究

利用空气氧化和稀酸回流纯化单壁碳纳米管,用高分辨透射电镜、拉曼光谱对碳纳米管进行了表征.在分子模拟中,非极性氢气、甲烷分子采用单点Lennard-Jones球形分子模型,流体分子与C原子之间相互作用采用虚拟原子模型.以液氮温度下碳纳米管对氮气的吸附等温线实验数据为依据,利用巨正则蒙特卡罗方法模拟得到了碳纳米管的孔径分布,主要集中在6nm.计算了常温常压下碳纳米管中甲烷及氢气的吸附等温线,298K及0.1MPa压力下,氢气的吸附量达到0.015%(质量分数),甲烷在样品中的吸附量可以达到0.5%(质量分数).模拟研究结果表明碳纳米管可以用作固相微萃取涂层材料.     

Next‐to‐next‐to‐leading order post‐Newtonian spin(1)‐spin(2) Hamiltonian for self‐gravitating binaries

We present the next‐to‐next‐to‐leading order post‐Newtonian (PN) spin(1)‐spin(2) Hamiltonian for two self‐gravitating spinning compact objects. If both objects are rapidly rotating, then the corresponding interaction is comparable in strength to a 4PN effect. The Hamiltonian is checked via the global Poincaré algebra with the center‐of‐mass vector uniquely determined by an ansatz.     

Analysis of the pure-rotational spectrum in the ν28 = 1 excited torsional state and torsional couplings of trans-ethyl methyl ether

The trans-ethyl methyl ether molecule has three low-lying torsional modes, that is, two inequivalent methyl internal rotations and an asymmetric skeletal torsion. The internal rotations of the CCH₃ and OCH₃ methyl rotors and the skeletal torsion correspond to the vibrational modes, ν₂₈, ν₂₉ and ν₃₀ respectively. In this study, the microwave absorption spectrum in the ν₂₈ = 1 CCH₃ torsional state was analyzed for the first time. Nine hundred fifty seven lines up to J = 48 and K = 4 were assigned, and the rotational, centrifugal distortion and internal rotational tunneling parameters were determined with the use of a tunneling matrix formalism. By combining the present results on the ν₂₈ = 1 torsional state with those for the ν₃₀ = 1 skeletal torsional state and the ν₂₉ = 1 OCH₃ torsional state, torsional couplings are estimated in order to understand quantitatively the inverted A/E sequence patterns observed for those three excited torsional states.     

Radiative effect differences between multi-layered and single-layer clouds derived from CERES, CALIPSO, and CloudSat data

Clouds alter general circulation through modification of the radiative heating profile within the atmosphere. Their effects are complex and depend on height, vertical structure, and phase. The instantaneous cloud radiative effect (CRE) induced by multi-layered (ML) and single-layer (SL) clouds is estimated by analyzing data collected by the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO), CloudSat, and Clouds and Earth’s Radiation Energy Budget System (CERES) missions from March 2007 through February 2008. The CRE differences between ML and SL clouds at the top of the atmosphere (TOA) and at the surface were also examined. The zonal mean shortwave (SW) CRE differences between the ML and SL clouds at the TOA and surface were positive at most latitudes, peaking at 120 W m⁻² in the tropics and dropping to −30 W m⁻² at higher latitudes. This indicated that the ML clouds usually reflected less sunlight at the TOA and transmitted more to the surface than the SL clouds, due to their higher cloud top heights. The zonal mean longwave (LW) CRE differences between ML and SL clouds at the TOA and surface were relatively small, ranging from −30 to 30 W m⁻². This showed that the ML clouds only increased the amount of thermal radiation at the TOA relative to the SL clouds in the tropics, decreasing it elsewhere. In other words, ML clouds tended to cool the atmosphere in the tropics and warm it elsewhere when compared to SL clouds. The zonal mean net CRE differences were positive at most latitudes and dominated by the SW CRE differences.     

Reconstruction of band-limited signals from multichannel and periodic nonuniform samples in the linear canonical transform domain

Linear canonical transforms (LCTs) are a family of integral transforms with wide application in optical, acoustical, electromagnetic, and other wave propagation problems. This paper addresses the problem of signal reconstruction from multichannel and periodic nonuniform samples in the LCT domain. Firstly, the multichannel sampling theorem (MST) for band-limited signals with the LCT is proposed based on multichannel system equations, which is the generalization of the well-known sampling theorem for the LCT. We consider the problem of reconstructing the signal from its samples which are acquired using a multichannel sampling scheme. For this purpose, we propose two alternatives. The first scheme is based on the conventional Fourier series and inverse LCT operation. The second is based on the conventional Fourier series and inverse Fourier transform (FT) operation. Moreover, the classical Papoulis MST in FT domain is shown to be special case of the achieved results. Since the periodic nonuniformly sampled signal in the LCT has valuable applications, the reconstruction expression for the periodic nonuniformly sampled signal has been then obtained by using the derived MST and the specific space-shifting property of the LCT. Last, the potential applications of the MST are presented to show the advantage of the theory.     

快速热退火对Co/Si0.85Geo.15肖特基结电学特性的影响

用离子束溅射技术分别在SiO2和单晶Si衬底上沉积了Si1-xGex和Co薄膜.在不同温度下,对Co/Si1-xGex肖特基结进行快速热退火处理(RTA),对处理后的样品进行了表面形貌和电学测量.发现退火温度升高,样品表面粗糙度变大,理想因子也变大,但对肖特基势垒高度(SBH)的影响很小.分析认为,随着退火温度的升高,...     

引信用激光与加速度传感器复合定高技术

比较了不同类型的弹载定高体制,提出了脉冲激光与重力加速度传感器复合定高的定距原理,并对测距误差进行深入分析,得出其定高精度。对设计出的原理样机进行了实验测试,平台倾斜角度检测实验的结果表明,静态条件下最大角度误差小于0.3;0~500 m定高测试实验的结果表明,测量平均值与实际值最大误差为2.5 m,并且与目标距离无关。     

Site-specific ϕ- and ψ-torsion angle determination in a uniformly/extensively 13C- and 15N-labeled peptide

A solid-state rotational-echo double resonance (REDOR) NMR method was introduced to identify the ?- and ψ-torsion angle from a ¹H–¹⁵N or ¹H–¹³C′ spin system of alanine-like residues in a selectively, uniformly, or extensively ¹⁵N-/¹³C-labeled peptide. When a C_α(i) or a ¹⁵N peak is site-specifically obtainable in the NMR spectrum of a uniformly ¹⁵N/¹³C-labeled sample system, the ψ- or ?-torsion angle specified by the conformational structure of peptide geometry involving ¹⁵N(i)–¹H_αi–¹⁵N(i + 1) or ¹³C′(i − 1)–¹H^Ni–¹³C′(i) spin system can be identified based on ¹³C_α- or ¹⁵N-detected ¹H_α–¹⁵N or ¹H_N–¹³C REDOR experiment. This method will conveniently be utilized to identify major secondary motifs, such as α-helix, β-sheet, and β-turn, from a uniformly ¹⁵N-/¹³C-labled peptide sample system. When tested on a ¹³C-/¹⁵N-labeled model system of a three amino acid peptide Gly–[U–¹³C, ¹⁵N]Ala–[U–¹³C, ¹⁵N]Leu, the ψ-angle of alanine obtained experimentally, ψ = −40 ± 30°, agreed reasonably well with the X-ray determined angle, ψ = −39°.