A Simulation-free Nonlinear Model Order-reduction Approach and Comparison Study

In this paper, a new approach to the model order reduction of nonlinear systems is presented. This approach does not need a simulation of the original system, and therefore, it is suitable for large systems. By separating the linear and nonlinear parts of the original nonlinear model, the idea is to consider the nonlinearities of the resulting system as additional inputs. Based on the linear system from the last step, a known order-reduction method can be applied to find the coefficients of the nonlinear and the linear parts of a reduced-order model. Two different methods from linear-order reduction (balancing and truncation and Eitelberg's method with some modification) are used for this purpose, and their advantages and disadvantages are discussed. For comparison with some known methods in order reduction of nonlinear systems, three other methods are discussed briefly. Finally, a technical nonlinear system is reduced, and different methods are compared.     

Rational Tuning of Zirconium Metal–Organic Framework Membranes for Hydrogen Purification

The effect of organic ligands on the separation performance of Zr based metal–organic framework (Zr‐MOF) membranes was investigated. A series of Zr‐MOF membranes with different ligand chemistry and functionality were synthesized by an in situ solvothermal method and a coordination modulation technique. The thin supported MOF layers (ca. 1 μm) showed the crystallographic orientation and pore structure of original MOF structures. The MOF membranes show excellent selectivity towards hydrogen owing to the molecular sieving effect when the bulkier linkers were used. The molecular simulation confirmed that the constricted pore apertures of the Zr‐MOFs which were formed by the additional benzene rings lead to the decrease in the diffusivity of larger penetrants while hydrogen was not remarkably affected. The gas mixture separation factors of the MOF membranes reached to H₂/CO₂=26, H₂/N₂=13, H₂/CH₄=11.     

Coarse homotopy groups

In this note on coarse geometry we revisit coarse homotopy. We prove that coarse homotopy indeed is an equivalence relation, and this in the most general context of abstract coarse structures. We introduce (in a geometric way) coarse homotopy groups. The main result is that the coarse homotopy groups of a cone over a compact simplicial complex coincide with the usual homotopy groups of the underlying compact simplicial complex. To prove this we develop geometric triangulation techniques for cones which we expect to be of relevance also in different contexts.     

Glutathione and pH‐responsive fluorescent nanogels for cell imaging and targeted methotrexate delivery

Cancer is one of the health problems that lead to death in the world, and nanotechnology was shown to have a unique potential to improve the therapeutic efficacy of anticancer agents. The nanosized drug delivery systems (DDSs) have been offered for targeting tumor tissue because of enhanced drug bioavailability and long circulation time. In this context, we reported a facial approach to prepare a novel pH and glutathione‐responsive nanogel. After that, the nanocarriers coupled with highly fluorescent quantum dots were developed. Then methotrexate (MTX) was loaded into and on the surface of nanogels by ionic interaction so that the triggered MTX release ability of the synthesized nanocarriers was verified through the assessment of in vitro drug release at simulated tumor tissue condition. The improved efficiency of the developed nanogels and their targeted performance via conjugation of MTX (as target ligand of folate receptors) were investigated through the various cell cytotoxicity studies such as 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide (MTT) assay, 4′6‐diamidino‐2‐phenylindole (DAPI) staining, and flow cytometry. The results of various cell cytotoxicity studies concluded that the developed smart nanogels have many promising abilities for the targeted MTX delivery to cancer tissues.     

The structure of alkali silicate glasses

Pulsed neutron diffraction has been used to study the structure of three alkali silicate glasses of nominal composition SiO₂ · (M₂O)_0.5, with M = K, K_0.46Li_0.54 and Li. The data are quantitatively consistent with the modified random network model. Lithium is coordinated by two oxygen atoms with an interatomic distance of 1.97 Å. The potassium-oxygen distance is similar to the tetrahedral oxygen-oxygen distance, 2.66 Å, with potassium being coordinated by approximately four oxygen atoms.     

Reactive scattering in hyperspherical coordinates

Preliminary results are presented for transition probabilities in the H + H₂ system derived from an adiabatic representation in terms of surface functions on hyperspheres. Special attention is given to the resonance structure for transition probabilities in the first vibrational level.     

Structure and electric properties of Sn(N) clusters (N = 6-20) from combined electric deflection experiments and quantum theoretical studies

Electric deflection experiments have been performed on neutral Sn(N) clusters (N = 6-20) at different nozzle temperatures in combination with a systematic search for the global minimum structures and the calculation of the dielectric properties based on density functional theory. For smaller tin clusters (N = 6-11), a good agreement between theory and experiment is found. Taking theoretically predicted moments of inertia and the body fixed dipole moment into account permits a quantitative simulation of the deflected molecular beam profiles. For larger Sn(N) clusters (N = 12-20), distinct differences between theory and experiment are observed; i.e., the predicted dipole moments from the quantum chemical calculations are significantly larger than the experimental values. The investigation of the electric susceptibilities at different nozzle temperatures indicates that this is due to the dynamical nature of the tin clusters, which increases with cluster size. As a result, even at the smallest nozzle temperature of 40 K, the dipole moments of Sn(12-20) are partially quenched. This clearly demonstrates the limits of current electric deflection experiments for structural determination and demonstrates the need for stronger cooling of the clusters in future experiments.     

Physical Microfabrication of Shape‐Memory Polymer Systems via Bicomponent Fiber Spinning

As emerging technologies continue to require diverse materials capable of exhibiting tunable stimuli‐responsiveness, shape‐memory materials are of considerable significance because they can change size and/or shape in controllable fashion upon environmental stimulation. Of particular interest, shape‐memory polymers (SMPs) have secured a central role in the ongoing development of relatively lightweight and remotely deployable devices that can be further designed with specific surface properties. In the case of thermally‐activated SMPs, two functional chemical species must be present to provide (i) an elastic network capable of restoring the SMP to a previous strain state and (ii) switching elements that either lock‐in or release a temporary strain at a well‐defined thermal transition. While these species are chemically combined into a single macromolecule in most commercially available SMPs, this work establishes that, even though they are physically separated across one or more polymer/polymer interfaces, their shape‐memory properties are retained in melt‐spun bicomponent fibers. In the present study, we investigate the effects of fiber composition and cross‐sectional geometry on both conventional and cold‐draw shape memory, and report surprisingly high levels of strain fixity and recovery that generally improve upon strain cycling.

     

Estimating of CP-violation in <Emphasis Type="Italic">B</Emphasis><Superscript>0</Superscript>→ψ(2<Emphasis Type="Italic">S</Emphasis>)π<Superscript>0</Superscript> decay

I present estimates of CP-violating asymmetries in the non-leptonic charmonium two-body B⁰→ψ(2S)π⁰ decay and the same decays of B⁺→ψ(2S)π⁺ and B⁺→ψ(2S)K⁺ These estimates are based on QCD and improved QCD factorization approach making use of next-to-leading order (NLO) contributions. The CP-violating asymmetry for B⁰→ψ(2S)π⁰ decay is not available, according to the same calculations, it is expected if it can be measured in the future its value will be S_ψ(2S)π0(B⁰ → ψ(2S)π⁰)= 0.662 ± 0.197 and C_ψ(2S)π0(B⁰ → ψ(2S)π⁰)= 0.024 ± 0.007.     

Solving interval linear least squares problems by PPS-methods

Numerical Algorithms - In our work, we consider the linear least squares problem for m × n-systems of linear equations Ax = b, m ≥ n, such that the matrix A and right-hand side vector b...