Mendeley Data Showcase

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

Laboratory experiment with 40 subjects, perception and evaluation of temperature variations, test of an air nozzle

this data contains silicon thin film anodes for lithium-ion batteries.

Supplemental Materials

The supplementary material provides detailed supporting information for the experimental design and results. Table S1 summarizes the basic properties of the prepared foam. Table S2 lists the key properties of the alkali-activated foamed concrete. Tables S3 and S4 present the detailed experimental designs for the high-performance composite foaming system and the mineral admixture-based AAS rheology regulation, respectively. Fig. S1 illustrates the rheological test procedures, including the dynamic shear protocol, static yield stress measurement, and amplitude sweep test. Figs. S2 and S3 show the optimization results for the foaming agent concentration and the XG–NS composite foaming system, respectively.