University of South Florida Showcase

Study remote organ injury(liver) by AKI

This repository contains the processed simulation data, selected trajectories, analysis outputs, and figure-generation scripts associated with the manuscript: Glassy interphases reinforce elastomeric nanocomposites by enhancing percolation-driven volume expansion under strain In filled elastomers, nanoparticle additives can dramatically increase stiffness and toughness, yet the molecular origins of this reinforcement have remained debated for decades. A prominent idea is that strong polymer–particle attractions create “glassy bridges” that directly cement particles into a load-bearing network. The data and scripts in this repository accompany a molecular simulation study showing a different picture: glassy interphases do not primarily reinforce by directly supplying elongational cohesion. Instead, they amplify a more fundamental mechanism in which competition between particulate and elastomeric networks increases volume expansion under strain, thereby activating large bulk-modulus contributions to the response. The repository is organized around two main directories. The `data/` directory contains processed simulation outputs, selected input files, and helper scripts for reproducing simulations and post-processing analyses. The `figures/` directory contains figure-specific plotting scripts and source files for all main-text and supporting-information figures. Simulation datasets are organized by filler structure, filler loading, and filler–polymer attraction strength. For full repository documentation, directory structure, software prerequisites, and detailed workflow instructions, see the top-level `README.md`. Associated manuscript: https://arxiv.org/abs/2509.04755

Using mutant mice with laminin-γ1 deficiency in PDGFRβ+ cells, we investigated the functions of PDGFRβ+ cell-derived laminin-γ1 in blood-brain barrier integrity maintenance, pericyte number, basal lamina thickness, brain stiffness, CSF influx/brain clearance, synaptic loss, and cognitive function in an age-dependent manner. The raw data and unprocessed Western Blot images are provided here.

Bulk modulus versus temperature data from equilibrium molecular dynamics simulations of a model neat elastomer. Dataset for Kawak, Bhapkar, Simmons. Origin of Heating-Induced Softening and Enthalpic Reinforcement in Elastomeric Nanocomposites. ACS Macro Letters 2025, 14, 12, 1867–1873 DOI:10.1021/acsmacrolett.5c00442

Young's modulus and Poisson's ratio versus temperature data from uniaxial extension molecular dynamics simulations of model neat and filled elastomers. Dataset for Kawak, Bhapkar, Simmons. Origin of Heating-Induced Softening and Enthalpic Reinforcement in Elastomeric Nanocomposites. ACS Macro Letters 2025, 14, 12, 1867–1873 DOI:10.1021/acsmacrolett.5c00442

(a) Young's modulus E versus temperature T in LJ units for model neat elastomers and filled elastomers at 150 parts per hundred rubber (PHR) loading or 0.415 filler volume fraction calculated using finite difference of extensional stress between strains of 4.5% and 5.5%. The solid green curve is the prediction of the composite modulus temperature dependence from Equation (5), with f =1.19. The solid blue curve is the prediction of the neat modulus temperature dependence from classical theory of rubber elasticity (i.e., proportionality to temperature) (b) Bulk modulus Ke versus T in LJ units for a model neat elastomer at zero pressure. Ke is computed via the fluctuation-dissipation relation as T〈V〉/〈δV2〉, where V is the volume, 〈V〉 is the NPT ensemble average of the volume, and 〈δV2〉 is the NPT ensemble variance of the volume. The solid curve is a fit to the Tait equation (Equation (2)). (c) Poisson’s ratio ν versus T computed by finite difference of extensional strain to normal strain between 4.5% and 5.5% extensional strain. d) Ec from panel a) versus theoretical prediction from Equation (1). Error bars reflect standard errors of the mean over 100 (a), 5 (b), and 100 (c) independent replicates. Dataset for Kawak, Bhapkar, Simmons. Origin of Heating-Induced Softening and Enthalpic Reinforcement in Elastomeric Nanocomposites. ACS Macro Letters 2025, 14, 12, 1867–1873 DOI:10.1021/acsmacrolett.5c00442

Relaxation times of interfacial and bulk polymer segments (distance less than 1 σ and greater than 3 σ away from filler surface, respectively) versus temperature in Lennard-Jones (LJ) units (εLJ is LJ energy scale and kB is the Boltzmann constant). Dataset for Kawak, Bhapkar, Simmons. Origin of Heating-Induced Softening and Enthalpic Reinforcement in Elastomeric Nanocomposites. ACS Macro Letters 2025, 14, 12, 1867–1873 DOI:10.1021/acsmacrolett.5c00442

Rendering of a configuration of model filled elastomer with loading of 150 parts per hundred rubber (PHR) or 0.415 filler volume fraction. Polymers are rendered in green (with bonds shown); beads that comprise filler particles are rendered in pale yellow. Rendered by OVITO. Dataset for Kawak, Bhapkar, Simmons. Origin of Heating-Induced Softening and Enthalpic Reinforcement in Elastomeric Nanocomposites. ACS Macro Letters 2025, 14, 12, 1867–1873 DOI:10.1021/acsmacrolett.5c00442

Raw physiological data and pump characteristics data.

This dataset contains three subsets. First is the Point Cloud folder, which holds the point clouds that were used for the analysis. This includes a set of point cloud tiles, which were used for the tree characteristic analysis. Second is the raster data. These are outputs from the raster and tree analysis. Last is the tree data gathered during the September 2025 ground survey.