Self-hardening of highly oriented polyethylene

Ultra-oriented polyethylene fibers obtained by drawing to approximately 30 times their original length have a Young's modulus of approximately 800 kbar. Such fibers, if unconstrained, contract on heating to a length near the original. We have studied the forces causing this contractile behavior by monitoring the stress in the fiber while maintaining it at constant length. In the course of this we observed a complex sequence of both reversible and irreversible behavior. In the reversible case we observed first energy and then entropy elastic behavior. The most significant feature observed is that at sufficiently high temperature the fiber stress relaxes to an unmeasurably low value. A fiber allowed to relax in this way possesses a much lower room temperature tensile modulus (ca. 80 kbar) immediately after relaxation but, remarkably, this modulus increases to approach the initial high value over a period of a few hours when the fiber is stored either clamped or unclamped at room temperature. High x-ray orientation is preserved throughout the storage period but the density which dropped during the stress decay rose again in the course of the spontaneous stiffening. None of the stress relaxed fibers displays large-scale contractile behavior on subsequent heating. A phenomenological composite model is proposed which involves stiff microfibrils of short length—surrounded by a matrix present as a minority component. The softening of this matrix on heating and its subsequent stiffening on storage, involving a certain amount of melting and recrystallization, respectively, could then be responsible for the observed variations in the macroscopic tensile properties using simple fiber composite theories. The fibers are likely to be of extended-chain type produced by the initial drawing while the matrix may consist of a combination of oriented amorphous material (tie chains), randomly oriented chains, and transverse lamellar overgrowth present in varying proportions in the different stages of sample treatment. The wider implications, fundamental and practical, of this remarkable self-hardening process are indicated.     

A multi-orbital iterated perturbation theory for model Hamiltonians and real material-specific calculations of correlated systems

The dynamical mean field theory (DMFT) has emerged as one of the most importantframeworks for theoretical investigations of strongly correlated lattice models and realmaterial systems. Within DMFT, a lattice model can be mapped onto the problem of amagnetic impurity embedded in a self-consistently determined bath. The solution of thisimpurity problem is the most challenging step in this framework. The available numericallyexact methods such as quantum Monte Carlo, numerical renormalization group or exactdiagonalization are naturally unbiased and accurate, but are computationally expensive.Thus, approximate methods, based e.g. on diagrammatic perturbation theory have gainedsubstantial importance. Although such methods are not always reliable in various parameterregimes such as in the proximity of phase transitions or for strong coupling, theadvantages they offer, in terms of being computationally inexpensive, with real frequencyoutput at zero and finite temperatures, compensate for their deficiencies and offer aquick, qualitative analysis of the system behavior. In this work, we have developed such amethod, that can be classified as a multi-orbital iterated perturbation theory (MO-IPT) tostudy N-folddegenerate and non degenerate Anderson impurity models. As applications of the solver, wehave embedded the MO-IPT within DMFT and explored lattice models like the single orbitalHubbard model, covalent band insulator and the multi-orbital Hubbard model fordensity-density type interactions in different parameter regimes. The Hund’s couplingeffects in case of multiple orbitals is also studied. The limitations and quality ofresults are gauged through extensive comparison with data from the numerically exactcontinuous time quantum Monte Carlo method (CTQMC). In the case of the single orbitalHubbard model, covalent band insulators and non degenerate multi-orbital Hubbard models,we obtained an excellent agreement between the Matsubara self-energies of MO-IPT andCTQMC. But for the degenerate multi-orbital Hubbard model, we observe that the agreementwith CTQMC results gets better as we move away from particle-hole symmetry. We have alsointegrated MO-IPT+DMFT with density functional theory based electronic structure methodsto study real material systems. As a test case, we have studied the classic, stronglycorrelated electronic material, SrVO₃. A comparison of density of states and photo emissionspectrum (PES) with results obtained from different impurity solvers and experimentsyields good agreement.     

Determination of valproic acid by high-performance liquid chromatography with photodiode-array and fluorescence detection.

The derivatization of valproic acid and undecylenic acid with 4-bromomethyl-7-methoxycoumarin is described. The derivatives were detected by photodiode-array and fluorescence detectors. The optimum monitoring conditions and the stability of the suspension solution and derivatives were investigated. A high-performance liquid chromatographic (HPLC) method with isocratic or gradient elution has been established for the analysis. This method has been used for the determination of total and free valproic acid in serum. There is a satisfactory correlation between the results obtained by this HPLC method and those measured by the enzyme immunoassay. Some other common anti-epileptic drugs did not interfere with the analysis. The method is simple and fast and has better sensitivity and linearity than enzyme immunoassay. It is suited for routine therapeutic drug monitoring.     

Entropy analysis of Powell–Eyring hybrid nanofluid including effect of linear thermal radiation and viscous dissipation

Journal of Thermal Analysis and Calorimetry - Hybrid nanofluids are introduced as heat transfer fluids with greater surface stability, diffusion and dispersion capabilities compared to traditional...     

不同壁面绕流特性的格子Boltzmann模拟研究

为了探讨不同壁面的绕流特性,针对粘性流场中,不同壁面诱导的涡脱落现象以及升阻力系数等流场特性进行了格子Boltzmann数值研究。利用基于分子动理论的格子Boltzmann方法(LBM)求解Navier-Stokes方程,实现对流体运动的描述,针对不同的壁面条件,分别采用不同的格子Boltzmann流-固壁面处理方法。采用Half-way反弹边界条件来处理平直壁面,而曲壁面则采用LBM与有限差分法相结合的形式进行处理,计入了壁面与标准网格不重合对结果造成的影响。开发相应的计算程序,计算结果与已发表文献结果吻合良好,验证了数值模型的正确性。同时,探讨了进出口边界与钝体中心的距离对结果的影响。对比分析了不同壁面的绕流模型中升阻力系数、斯托罗哈数和涡量云图等,并进一步研究了雷诺数条件的影响。结果表明,不同壁面的绕流特性具有明显差异,且同时受雷诺数的显著影响;一般地,平直壁面对于来流作出的响应更迅速。     

Magnetoelasticity of highly deformable thin films: Theory and simulation

A non-linear two-dimensional theory is developed for thin magnetoelastic films capable of large deformations. This is derived directly from the three-dimensional theory. Significant simplifications emerge in the descent from three dimensions to two, permitting the self-field generated by the body to be computed a posteriori. The model is specialized to isotropic elastomers and numerical solutions are obtained to equilibrium boundary-value problems in which the membrane is subjected to lateral pressure and an applied magnetic field.     

Spiralling optical morphologies in spherulites of poly(hydroxybutyrate)

Some rather unusual optical morphologies in thin films of poly(hydroxybutyrate) in which a temperature gradient is imposed across the thickness of the film are reported. Spherulites in which the Maltese cross degenerates into a continuous spiral grow under these conditions, and the direction of the rotation of the spirals depends on the direction of heating. These morphologies are explained with the existing understanding of spherulite optics. The helicoidally twisting crystallites are modeled as twisting around an axis at a fixed angle to the radius of the spherulite (and the plane of the film). The possible implications for future, inclusive models of banding in spherulites are discussed. Further observations on the temperature dependence of the optical banding pattern in poly(hydroxybutyrate) are also reported, and an unexpected minimum in band spacing and fine optically visible fibrillar texture is discussed. © 2000 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 38: 1575–1583, 2000     

A study of the crystallization of the n-alkane C246H494 from solution: Further manifestations of the inversion of crystallization rates with temperature

The newly available, strictly uniform n-alkane, C₂₄₆H₄₉₄, has been crystallized from dilute solution. The rates of crystallization were followed by differential scanning calorimetry (DSC) as a function of temperature. Two pronounced rate inversions were registered. The dissolution temperatures of the crystals formed show a sharp discontinuity at the temperature of the rate minimum. From this it is inferred (reinforced by the precedent of previous work on C₁₉₈H₃₉₈) that a transition from extended to once folded crystallization is taking place at the temperature of the minimum. The methods by which the rate curves were constructed are laid out in step by step detail, leaving no possible doubt about the reality of the rate inversion. The rate inversion is attributed to “self-poisoning,” and this concept is extended to embrace the wider issue of mutually interacting competition of possible phase variants (“polymorphs”) of which the extended and folded chain crystals represent one special example. In addition, some further effects are noted and discussed regarding solubility behavior. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35: 1775–1791, 1997