A Flexible Photoactive Titanium Metal–Organic Framework Based on a [TiIV3(μ3‐O)(O)2(COO)6] Cluster

The synthesis of titanium–carboxylate metal–organic frameworks (MOFs) is hampered by the high reactivity of the commonly employed alkoxide precursors. Herein, we present an innovative approach to titanium‐based MOFs by the use of titanocene dichloride to synthesize COK‐69, the first breathing Ti MOF, which is built up from trans‐1,4‐cyclohexanedicarboxylate linkers and an unprecedented [Ti^IV₃(μ₃‐O)(O)₂(COO)₆] cluster. The photoactive properties of COK‐69 were investigated in depth by proton‐coupled electron‐transfer experiments, which revealed that up to one Ti^IV center per cluster can be photoreduced to Ti^III while preserving the structural integrity of the framework. The electronic structure of COK‐69 was determined by molecular modeling, and a band gap of 3.77 eV was found.     

各向异性本构关系在板料成形数值模拟中的应用

对几种能表达面内各向异性的屈服准则Hill、Barlat-Lian、Barlat进行了比较。以弹性变形服从各向同性广义虎克定律的情况下，给出了基于张量算法推导的弹塑性本构关系的一般表达式，并由此导出了相应屈服准则的弹塑性本构关系的显式表达。借助ABAQUS软件本构模块用户子程序接口，分别实现了这些屈服准则在ABAQUS的嵌入。以模拟方形盒的拉延过程为例，分析了不同的屈服准则在板料成形过程数值模拟中的应用。模拟结果表明，基于弹塑性本构关系一般表达所列出的相应屈服准则的显式表达式是正确的；在采用壳元来模拟板料成形时，采用Barlat准则的模拟结果和采用Barlat-Lian准则的结果差别不大。     

镍钛记忆合金自补偿磨粒磨损性能研究

研究了高临界温度镍钛记忆合金一维自补偿磨粒磨损特性.结果表明,在一定温度下,镍钛记忆合金在摩擦过程中具有形状恢复能力,从而产生一维磨损自补偿作用.超弹状态镍钛记忆合金具有热弹性马氏体相变、高阻尼、应力感生马氏体、超弹性、高应变硬化指数和时效弥散析出强化等特性,这使得硬度较低的镍钛合金的耐磨性能远优于硬度较高的淬火45#钢.利用超弹状态镍钛记忆合金的磨损自补偿作用可望开发出新型抗磨形状记忆合金产品.     

中心裂纹圆盘应力强度因子的测试误差分析

本文在中心裂纹圆盘应力强度因子解析解的基础上,利用一阶微分法则,给出了与裂纹相对长度和加载角相关的应力强度因子(K 和K )的4个误差传递函数。这4个误差传递函数关于裂纹相对长度和加载角均是非线性的,它们既是误差分析的基础,又是合理确定裂纹相对长度和加载角的基础。分析结果表明,加载角的误差Δθ除了对纯 型K 的误差几乎没有影响,对纯 型K 影响较小外,对复合型K 、K 的误差均有较大影响。最后,本文建议裂纹相对长度的取值范围为0.4～0.6;还建议在复合型断裂试验时,必须依据对K 、K 的总体精度要求来严格控制加载角的精度。     

Band bending at the conducting polymer/indium tin oxide interfaces with and without ultraviolet treatment

In this study, the effect of ultraviolet treatment on the band bending at the poly(3,4-ethylenedioxythiophene) doped with poly(4-styrenesulfonate)/indium tin oxide (PEDOT:PSS/ITO) interfaces were researched. The authors suggested that ultraviolet treatment could lead to a reduction in the band bending at the PEDOT:PSS/ITO interface, owing to the removal of carbon contamination at the ITO surfaces and a decrease in the number of the trap-states at the PEDOT:PSS/ITO interface.     

Damage Evolution and Post-peak Gas Permeability of Raw Coal Under Loading and Unloading Conditions

Coalbed methane, a naturally occurring gas in coal, is regarded as a relatively clean-burning and eco-friendly resource. During mining, coalbed methane may be leaked to the environment, leading to potential coal mine catastrophes such as coal and gas outbursts, and gas explosions. In the interest of mine stability, and to enhance resource recovery and utilisation, it is fundamentally important to understand the permeability characteristics of coal, in particular its post-peak permeability behaviour. In this paper, an in-house developed tri-axial apparatus with the ability to investigate coupled thermal–hydrological–mechanical behaviour under servo-controlled seepage has been used to carry out a series of gas permeation experiments in coal samples. The coal samples were subjected to tri-axial tests, including the simulation of coal extraction by unloading the confining pressure applied on the test specimens. The deformation and permeability characteristics of raw coal during these tests were recorded. The volume changes of the coal samples during the tests were observed to occur in three stages: Stage 1: contraction, Stage 2: little or no volume change, and Stage 3: dilation. Corresponding to the volume changes, the gas seepage can also be divided into three stages: seepage decrease, steady seepage, and accelerated seepage. Based on the observed behaviour of coal samples during the tri-axial permeation tests, an analytical model to simulate damage evolution and its effect on the permeability of coal containing gas is proposed in this paper. It may be used to study the evolution of permeability with stress changes, and to provide insights into coal and gas outbursts in practice.     

Exchange effects on the 1H and 31P nmr spectra of cyclodiphosph(III)azane selenides and tellurides

Oxidation of the isomeric cyclodiphosph(III)azanes, (Me₂ NPNBu-t)₂, by selenium and by tellurium gives both isomeric monoselenides but only one monotelluride. Variable temperature ¹H and ³¹P NMR studies provide evidence for restricted rotation about the exocyclic PN bonds, and in the telluride, of exchange of tellurium between the phosphorus atoms.     

Structural anisotropy and internal magnetic fields in trabecular bone: coupling solution and solid dipolar interactions

We investigate the use of intermolecular multiple-quantum coherence to probe structural anisotropy in trabecular bone. Despite the low volume fraction of bone, the bone-water interface produces internal magnetic field gradients which modulate the dipolar field, depending on sample orientation, choice of dipolar correlation length, correlation gradient direction, and evolution time. For this system, the probing of internal magnetic field gradients in the liquid phase permits indirect measurements of the solid phase dipolar field. Our results suggest that measurements of volume-averaged signal intensity as a function of gradient strength and three orthogonal directions could be used to non-invasively measure the orientation of structures inside a sample or their degree of anisotropy. The system is modeled as having two phases, solid and liquid (bone and water), which differ in their magnetization density and magnetic susceptibility. A simple calculation using a priori knowledge of the material geometry and distribution of internal magnetic fields verifies the experimental measurements as a function of gradient strength, direction, and sample orientation.     

Precise determination of 6Li cold collision parameters by radio-frequency spectroscopy on weakly bound molecules

We employ radio-frequency spectroscopy on weakly bound (6)Li(2) molecules to precisely determine the molecular binding energies and the energy splittings between molecular states for different magnetic fields. These measurements allow us to extract the interaction parameters of ultracold (6)Li atoms based on a multichannel quantum scattering model. We determine the singlet and triplet scattering lengths to be a(s) = 45.167(8)a(0) and a(t) = -2140(18)a(0) (1a(0) = 0.052 917 7 nm), and the positions of the broad Feshbach resonances in the energetically lowest three s-wave scattering channels to be 83.41(15), 69.04(5), and 81.12(10) mT.