Thermodynamics and elastic properties of Ta from first-principles calculations

<正>Within the framework of the quasiharmonic approximation,the thermodynamics and elastic properties of Ta, including phonon density of states(DOS),equation of state,linear thermal expansion coefficient,entropy,enthalpy, heat capacity,elastic constants,bulk modulus,shear modulus,Young’s modulus,microhardness,and sound velocity, are studied using the first-principles projector-augmented wave method.The vibrational contribution to Helmholtz free energy is evaluated from the first-principles phonon DOS and the Debye model.The thermal electronic contribution to Helmholtz free energy is estimated from the integration over the electronic DOS.By comparing the experimental results with the calculation results from the first-principles and the Debye model,it is found that the thermodynamic properties of Ta are depicted well by the first-principles.The elastic properties of Ta from the first-principles are consistent with the available experimental data.     

Non-Hermitian Weyl semimetals: Non-Hermitian skin effect and non-Bloch bulk-boundary correspondence

We investigate novel features of three-dimensional non-Hermitian Weyl semimetals,paying special attention to the unconventional bulk-boundary correspondence.We use the non-Bloch Chern numbers as the tool to obtain the topological phase diagram,which is also confirmed by the energy spectra from our numerical results.It is shown that,in sharp contrast to Hermitian systems,the conventional(Bloch)bulk-boundary correspondence breaks down in non-Hermitian topological semimetals,which is caused by the non-Hermitian skin effect.We establish the non-Bloch bulk-boundary correspondence for non-Hermitian Weyl semimetals:the topological edge modes are determined by the non-Bloch Chern number of the bulk bands.Moreover,these topological edge modes can manifest as the unidirectional edge motion,and their signatures are consistent with the non-Bloch bulk-boundary correspondence.Our work establishes the non-Bloch bulk-boundary correspondence for non-Hermitian topological semimetals.     

DL－32／16型多路时间间隔测量仪及其应用

基于模拟内插原理，研制了一种精密多路时间间隔测量仪。该仪器有一个公共起始通道和３２或１６路停止通道，测时范围５０ｎｓ～８２０ｍｓ，分辨力１ｎｓ，精度优于±５ｎｓ。由于采用了内部微处理器，仪器具有内部自检、通道识别、差错指示和测量数据自动显示，打印、处理及掉电保护等功能，并能给出多次测量的平均值、最大值和最小值。实验测量了Ｔ／Γ炸药的爆速和钨合金中的冲击波速度，得到满意的结果。     

Total Synthesis of Bryostatin 8 Using an Organosilane‐Based Strategy

Convergent total synthesis of bryostatin 8 has been accomplished by an organosilane‐based strategy. The C ring is constructed stereoselectively through a geminal bis(silane)‐based [1,5]‐Brook rearrangement, and the B ring through geminal bis(silane)‐based Prins cyclization, thus efficiently joining the northern and southern parts of the molecule.     

新颍Mo-Cu-Se簇合物{MoCu3Se3I}(PPh3)3O·0.5CH2Cl2的合成及晶体结构

新颍Mo-Cu-Se簇合物{MoCu₃Se₃I}(PPh₃)₃O·0.5CH₂Cl₂是由［Et₄N］₂MoSe₄、Cu(PPh₃)₂NO₃和KI在乙腈和二氯甲烷1∶1的混合溶剂中反应所得。晶体属单斜晶系，空间群P2_{1相似文献}   

Scalable Quantum Controlled Gates on Single-Photon Polarization Qubits Assisted by Nitrogen-Vacancy Centers Inside Single-Sided Optical Cavities

International Journal of Theoretical Physics - Quantum logic gates are the foundation of circuit-based quantum computation and quantum simulation. Multi-qubit quantum controlled gates are of vital...     

Novel silver-containing supramolecular frameworks constructed by combination of coordination bonds and supramolecular interactions

The hydrothermal reactions of AgNO(3), 4,4'-bipy, and carboxylate ligands gave rise to three supramolecular architectures, namely [Ag(bipy)].H(2)SIPA.1/2bipy.H(2)O (1), [Ag(bipy)].1/2H(2)btec.H(2)O (2), and [Ag(bipy)](2).H(2)dpstc.2H(2)O (3) (H(3)SIPA = 5-sulfoisophthalic acid, bipy = 4,4'-bipyridine, H(4)btec = 1,2,4,5-benzenetetracarboxylic acid, H(4)dpstc = 3,3',4,4'-tetracarboxydiphenyl sulfone). All complexes are extended from Ag-bipy linear chains by the combination of coordination bonds and supramolecular interactions in two different approaches. Complexes 1 and 3 comprise two-dimensional frameworks. In the two complexes, a one-dimensional ladderlike structure is first formed by the connection of a Ag-bipy chain through hydrogen bonding between a free carboxylate/bipy ligand and weak coordinative interactions between a free carboxylate ligand and silver ion. The ladderlike structure is then extended to a two-dimensional layer architecture by pi...pi interactions between bipy ligands of the Ag-bipy chains. Complex 2 possesses a three-dimensional framework. The free H(2)btec(2)(-) ligands form a two-dimensional layer network by hydrogen-bonding interactions between protonated and deprotonated carboxylate groups; meanwhile, pi.pi interactions between bipy ligands of Ag-bipy chains also result in a two-dimensional layer. The two layers are further connected by weak Ag-O interactions to generate a three-dimensional supramolecular structure.     

Synthesis, Crystal Structure and Magnetic Behaviour of {[Yb(1,4-BDC)1.5(H2O)4]·H2O}n (1,4-BDC?=?1,4-benzenedicarboxylate)

Abstract  

The title complex {[Yb(1,4-BDC)_1.5(H₂O)₄]·H₂O}_n (1) (1,4-BDC = 1,4-benzenedicarboxylate) has been hydrothermally synthesized and structurally characterized by the single crystal X-ray diffraction. Crystals of compound 1 belongs to the triclinic crystal system, space group P-1; a = 7.549(3) ?, b = 10.072(4) ?, c = 10.470(4) ?, α = 87.810(4)°, β = 82.531(4)°, γ = 86.306(4)°, V = 787.3(5) ?³, Z = 2. The Yb(III) atoms are linked by the deprotonated 1,4-BDC ligands in two kinds of bridging modes. Four Yb(III) atoms at each corner (nodes) and four 1,4-BDC ligands at each edge (spacers) form a edge–sharing 36-membered rings. The rhombohedral Yb₄(1,4-BDC)₄ arranged in an alternating fashion to construct a 1D ladder-like chain along the c axis. Two neighboring chains are linked to each other in a parallel fashion to construct 3D supramolecular structure by O–H···O hydrogen bonds and π–π stacking interactions. In addition, the properties of thermogravimetric analysis and magnetic behaviors of the complex have been also discussed.     

离子液体参与构建的胶束

离子液体参与构建的有序组合体,以其独特的物理化学性质及在众多领域的应用潜能而引起广泛关注。本文结合我们的研究工作,对离子液体参与构建的胶束体系的主要研究成果进行了综述,重点介绍了传统表面活性剂在离子液体中胶束的形成、表面活性离子液体在水溶液中的聚集行为、离子液体作为添加剂对传统表面活性剂胶束的影响。在此基础上,归纳了部分体系胶束形成的机理和规律,并展望了离子液体构建的胶束体系研究和发展的方向。