Conduction in jammed systems of tetrahedra

Control of transport processes in composite microstructures is critical to the development of high performance functional materials for a variety of energy storage applications. The fundamental process of conduction and its control through the manipulation of granular composite attributes (e.g., grain shape) are the subject of this work. We show that athermally jammed packings of tetrahedra with ultra-short range order exhibit fundamentally different pathways for conduction than those in dense sphere packings. Highly resistive granular constrictions and few face-face contacts between grains result in short-range distortions from the mean temperature field. As a consequence, 'granular' or differential effective medium theory predicts the conductivity of this media within 10% at the jamming point; in contrast, strong enhancement of transport near interparticle contacts in packed-sphere composites results in conductivity divergence at the jamming onset. The results are expected to be particularly relevant to the development of nanomaterials, where nanoparticle building blocks can exhibit a variety of faceted shapes.Comment: 9 pages, 10 figure

Variable-cell method for stress-controlled jamming of athermal, frictionless grains

A new method is introduced to simulate jamming of polyhedral grains under controlled stress that incorporates global degrees of freedom through the metric tensor of a periodic cell containing grains. Jamming under hydrostatic/isotropic stress and athermal conditions leads to a precise definition of the ideal jamming point at zero shear stress. The structures of tetrahedra jammed hydrostatically exhibit less translational order and lower jamming-point density than previously described `maximally random jammed' hard tetrahedra. Under the same conditions, cubes jam with negligible nematic order. Grains with octahedral symmetry jam in the large-system limit with an abundance of face-face contacts in the absence of nematic order. For sufficiently large face-face contact number, percolating clusters form that span the entire simulation box. The response of hydrostatically jammed tetrahedra and cubes to shear-stress perturbation is also demonstrated with the variable-cell method.Comment: 10 pages, 8 figure

Isostaticity of Constraints in Jammed Systems of Soft Frictionless Platonic Solids

The average number of constraints per particle $$ in mechanically stable systems of Platonic solids (except cubes) approaches the isostatic limit at the jamming point ($\rightarrow 12$), though average number of contacts are hypostatic. By introducing angular alignment metrics to classify the degree of constraint imposed by each contact, constraints are shown to arise as a direct result of local orientational order reflected in edge-face and face-face alignment angle distributions. With approximately one face-face contact per particle at jamming chain-like face-face clusters with finite extent form in these systems.Comment: 4 pages, 3 figures, 4 tabl

Basic Features of a Cell Electroporation Model: Illustrative Behavior for Two Very Different Pulses

Science increasingly involves complex modeling. Here we describe a model for cell electroporation in which membrane properties are dynamically modified by poration. Spatial scales range from cell membrane thickness (5 nm) to a typical mammalian cell radius (10 \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}\upmu\end{document}m), and can be used with idealized and experimental pulse waveforms. The model consists of traditional passive components and additional active components representing nonequilibrium processes. Model responses include measurable quantities: transmembrane voltage, membrane electrical conductance, and solute transport rates and amounts for the representative “long” and “short” pulses. The long pulse—1.5 kV/cm, 100 \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}\upmu\end{document}s—evolves two pore subpopulations with a valley at \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${\sim}$$\end{document}5 nm, which separates the subpopulations that have peaks at \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${\sim}$$\end{document}1.5 and \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${\sim}$$\end{document}12 nm radius. Such pulses are widely used in biological research, biotechnology, and medicine, including cancer therapy by drug delivery and nonthermal physical tumor ablation by causing necrosis. The short pulse—40 kV/cm, 10 ns—creates 80-fold more pores, all small (\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$<$$\end{document}3 nm; \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\sim$$\end{document}1 nm peak). These nanosecond pulses ablate tumors by apoptosis. We demonstrate the model’s responses by illustrative electrical and poration behavior, and transport of calcein and propidium. We then identify extensions for expanding modeling capability. Structure-function results from MD can allow extrapolations that bring response specificity to cell membranes based on their lipid composition. After a pulse, changes in pore energy landscape can be included over seconds to minutes, by mechanisms such as cell swelling and pulse-induced chemical reactions that slowly alter pore behavior. Electronic supplementary material The online version of this article (doi:10.1007/s00232-014-9699-z) contains supplementary material, which is available to authorized users

The Development of a Human Well-Being Index for the United States

The US Environmental Protection Agency (EPA) has developed a human well-being index (HWBI) that assesses the over-all well-being of its population at the county level. The HWBI contains eight domains representing social, economic and environmental well-being. These domains include 25 indicators comprised of 80 metrics and 22 social, economic and environmental services. The application of the HWBI has been made for the nation as a whole at the county level and two alternative applications have been made to represent key populations within the overall US population—Native Americans and children. A number of advances have been made to estimate the values of metrics for counties where no data is available and one such estimator—MERLIN—is discussed. Finally, efforts to make the index into an interactive web site are described