Characterization of structural knot distributions in UHMWPE fibers

Microbeam wide-angle X-ray diffraction (WAXD) experiments were carried out at different structural knot positions of SIOC and M4 fibers of ultra-high molecular weight polyethylene (UHMWPE). The optical microscope images revealed that SIOC fiber had bamboo-like structural knots, and M4 fiber had chaotic distribution of structural knots. WAXD patterns showed the monoclinic unit cell in the whole M4 fiber, but different lamellar orientations in the bamboo joint of SIOC fiber. In addition, small-angle X-ray scattering (SAXS) patterns confirmed that the SIOC fiber contained uniform distribution of shish structures, and differential scanning calorimetry (DSC) measurements showed that its less branched and short chains benefited the orthorhombic-hexagonal phase transformation.     

Orientation effect on the electronic transport properties of C24 fullerene molecule

The transport properties of the cage-like molecule depend on its orientation between the electrodes, but the investigation on the mechanism has not been found. Using first-principle density-functional theory (DFT) and non-equilibrium Green’s function (NEGF) formalism for quantum transport calculation, we study the electronic transport properties of C₂₄ fullerene molecule with different orientations in Au–C₂₄–Au two-probe system. The effects of k-point sampling on the Brillouin zone are explored. Our results show that the negative differential resistance of C₂₄ molecule is found in such a system and can be tuned by the molecule's orientation in the two-probe system. We also proposed a mechanism for it. The I–V characteristic under bias voltage is determined. The present findings could be helpful for the application of the C₂₄ molecule in the field of single molecular devices or nanometer electronics.     

Orientation relationship between α-Fe precipitate and α-Al2O3 matrix in iron-implanted sapphire

Fe ions were implanted into α-Al₂O₃ single crystals (sapphire) at room temperature and annealed in a reducing atmosphere. The orientation relationships (ORs) between α-Fe particles and sapphire matrix were investigated using transmission electron microscopy (TEM). All the α-Fe particles have the orientation relationship (OR) of (1 1 1)_α-Fe || (0 0 0 1)_sapphire and ${[1\overline{1}0]}_{\alpha \text{-Fe}}\left|\right|{[11\overline{2}0]}_{\text{sapphire}}$ with sapphire. This OR is predicted precisely by the coincidence of reciprocal lattice points (CRLP) method. The other OR of (1 1 0)_α-Fe || (0 0 0 1)_sapphire and ${[111]}_{\alpha \text{-Fe}}\left|\right|{[5\overline{1}\overline{4}0]}_{\text{sapphire}}$ reported before is confirmed by the same method to be one of the secondary preferred orientation relationships in the α-Fe/sapphire system.     

Optimal cubature on the sphere and other orientation averaging schemes

We propose an orientation averaging scheme which we call optimal cubature on the sphere to be used in light scattering computations. The cubature points are optimally arranged on the sphere to produce non-biased and fast convergence in scattering problems requiring numerical orientation averaging. We will compare performance against other possible schemes.     

Influence of MgO and ZrO2 buffer layers on dielectric properties of Ba(Zr0.20Ti0.80)O3 thin films prepared by sol-gel processing

Ba(Zr_0.20Ti_0.80)O₃ (BZT) thin films are deposited on Pt(1 1 1)/Ti/SiO₂/Si, MgO and ZrO₂ buffered Pt(1 1 1)/Ti/SiO₂/Si substrates by a sol-gel process. The BZT thin films directly grown on Pt(1 1 1)/Ti/SiO₂/Si substrates exhibit highly (1 1 1) preferred orientation, while the films deposited on Pt(1 1 1)/Ti/SiO₂/Si substrates with MgO and ZrO₂ buffer layers show highly (1 1 0) preferred orientation. At 100 kHz, dielectric constants are 417, 311 and 321 for the BZT thin films grown on Pt(1 1 1)/Ti/SiO₂/Si, MgO and ZrO₂ buffered Pt(1 1 1)/Ti/SiO₂/Si substrates, respectively. The difference in dielectric properties of three BZT films can be attributed to the series capacitance effect, interface conditions and their orientations.     

红外光谱法研究聚脲氨酯的取向行为

利用红外二向色性研究了聚脲氨酯中软、硬段及界面层的取向行为。证明了软、硬段处于完全不同的结构形态中。在较低拉伸水平时,硬段主要垂直于拉伸方向取向;在较高拉伸水平时,则转到沿拉伸方向取向。软段和界面则始终沿拉伸方向取向。     

Polynomial algorithms for kernels in comparability, permutation and P 4-free graphs

In this paper, we give three polynomial algorithms which detect a kernel in comparability graphs relatively to an M-orientation, in permutation graphs and in P₄-free graphs with a normal orientation. MSC classification: 05C69, 05C85 Correspondence to: Saoula Youcef     

Acyclically pushable bipartite permutation digraphs: An algorithm

Given a digraph D=(V,A) and an X⊆V, D^X denotes the digraph obtained from D by reversing those arcs with exactly one end in X. A digraph D is called acyclically pushable when there exists an X⊆V such that D^X is acyclic. Huang, MacGillivray and Yeo have recently characterized, in terms of two excluded induced subgraphs on 7 and 8 nodes, those bipartite permutation digraphs which are acyclically pushable. We give an algorithmic proof of their result. Our proof delivers an O(m²) time algorithm to decide whether a bipartite permutation digraph is acyclically pushable and, if yes, to find a set X such that D^X is acyclic. (Huang, MacGillivray and Yeo's result clearly implies an O(n⁸) time algorithm to decide but the polynomiality of constructing X was still open.)We define a strongly acyclic digraph as a digraph D such that D^X is acyclic for every X. We show how a result of Conforti et al [Balanced cycles and holes in bipartite graphs, Discrete Math. 199 (1-3) (1999) 27-33] can be essentially regarded as a characterization of strongly acyclic digraphs and also provides linear time algorithms to find a strongly acyclic orientation of an undirected graph, if one exists. Besides revealing this connection, we add simplicity to the structural and algorithmic results first given in Conforti et al [Balanced cycles and holes in bipartite graphs, Discrete Math. 199 (1-3) (1999) 27-33]. In particular, we avoid decomposing the graph into triconnected components.We give an alternate proof of a theorem of Huang, MacGillivray and Wood characterizing acyclically pushable bipartite tournaments. Our proof leads to a linear time algorithm which, given a bipartite tournament as input, either returns a set X such that D^X is acyclic or a proof that D is not acyclically pushable.     

MC3T3-E1 cell adhesion to hydroxyapatite with adsorbed bone sialoprotein, bone osteopontin, and bovine serum albumin

Native bone tissue is composed of a complex matrix of collagen, non-collagenous proteins, and hydroxyapatite (HAP). Bone sialoprotein (BSP) and bone osteopontin (OPN) are members of the non-collagenous protein family termed the SIBLING (small integrin-binding ligand, N-linked glycoproteins) proteins, which are primarily found in mineralized tissues. Previously, OPN was shown to exhibit a preferential orientation for MC3T3-E1 cell adhesion when it was specifically bound to collagen, while the MC3T3-E1 cell adhesion was shown to be dependant on the conformational flexibility of BSP specifically bound to collagen. Additionally, OPN was shown to play a greater role than BSP for cell binding to collagen. In this work, the orientations and conformations of BSP and OPN specifically bound to HAP are probed under similar conditions. Radiolabeled adsorption isotherms were obtained for BSP and OPN on HAP formed from a simulated body fluid, and the results show that HAP has the capacity to bind significantly more BSP than OPN. An in vitro MC3T3-E1 cell adhesion assay was then performed to compare the cell binding ability of adsorbed BSP and OPN specifically bound to HAP. It was found that there is a preference for cell binding to HAP with adsorbed BSP as compared to OPN, but not to a statistically significant level. However, the maximum cell binding was observed on HAP substrates with adsorbed heat denatured bovine serum albumin (BSA). The influence of BSA on cell binding was shown to be concentration dependant and it is believed that the adsorbed BSA modulates the proliferation state of the bound cells.     

Prussian Blue Analogues with Optimized Crystal Plane Orientation and Low Crystal Defects toward 450 Wh kg−1 Alkali-Ion Batteries

Prussian blue analogues (PBAs) have been regarded as promising cathode materials for alkali-ion batteries owing to their high theoretical energy density and low cost. However, the high water and vacancy content of PBAs lower their energy density and bring safety issues, impeding their large-scale application. Herein, a facile “potassium-ions assisted” strategy is proposed to synthesize highly crystallized PBAs. By manipulating the dominant crystal plane and suppressing vacancies, the as-prepared PBAs exhibit increased redox potential resulting in high energy density up to ≈450 Wh kg⁻¹, which is at the same level of the well-known LiFePO₄ cathodes for lithium-ion batteries. Remarkably, unconventional highly-reversible phase evolution and redox-active pairs were identified by multiple in situ techniques for the first time. The preferred guest-ion storage sites and migration mechanism were systematically analysed through theoretical calculations. We believe these results could inspire the design of safe with high energy density.