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  1. Abstract

    Decades of advances in understanding and simulating the polymerization kinetics and structural evolution that arises in free‐radical photopolymerizations of multifunctional monomers are combined into a single, first‐principles 3D model. The model explicitly accounts for polymerization features including diffusion‐controlled kinetics, oxygen inhibition, light attenuation, chain‐length dependent termination, reaction‐diffusion termination, heat transfer, composition and conversion‐dependent material properties, crosslinking effects, and species diffusion. Using the homopolymerization of 1,6‐hexanediol diacrylate as a model system, a minimum of two kinetics experiments performed at different initiation rates are required to fit model parameters. The model accurately predicts known relationships regarding oxygen inhibition, light intensity, and curing temperature for samples of different geometries and boundary conditions. The emphasis of the results herein is placed on the interactions between polymerization features, motivating the importance of a model that accommodates these features all in one simulation. The model is shown to be robust in its handling of thermal boundary conditions, alternative polymerization techniques or mechanisms, and characteristics of 3D voxel formation. The model in this work provides a useful tool for property prediction in a wide variety of applications, most notably coatings, dental materials, industrial photocuring processes, additive manufacturing, and holography, where complex interactions of the various features of polymerization play a substantial role.

     
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  2. Free, publicly-accessible full text available September 1, 2024
  3. Free, publicly-accessible full text available November 1, 2024
  4. Single-cell genomic technologies offer vast new resources with which to study cells, but their potential to inform parameter inference of cell dynamics has yet to be fully realized. Here we develop methods for Bayesian parameter inference with data that jointly measure gene expression and Ca2+dynamics in single cells. We propose to share information between cells via transfer learning: for a sequence of cells, the posterior distribution of one cell is used to inform the prior distribution of the next. In application to intracellular Ca2+signalling dynamics, we fit the parameters of a dynamical model for thousands of cells with variable single-cell responses. We show that transfer learning accelerates inference with sequences of cells regardless of how the cells are ordered. However, only by ordering cells based on their transcriptional similarity can we distinguish Ca2+dynamic profiles and associated marker genes from the posterior distributions. Inference results reveal complex and competing sources of cell heterogeneity: parameter covariation can diverge between the intracellular and intercellular contexts. Overall, we discuss the extent to which single-cell parameter inference informed by transcriptional similarity can quantify relationships between gene expression states and signalling dynamics in single cells.

     
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    Free, publicly-accessible full text available June 1, 2024
  5. A thin Smectic-A liquid crystal (LC) film is deposited on a polymer vinyl alcohol-coated substrate that had been scribed with a uniform easy axis pattern over a square of side length L ≤ 85 μm. The small size of the patterned region facilitates material distribution to form either a hill (for a thin film) or divot (for a thick film) above the scribed square and having an oily streak (OS) texture. Optical profilometry measurements vs. film thickness suggest that the OS structure aims to adopt a preferred thickness z 0 that depends on the nature of the molecule, the temperature, and the surface tension at the air interface. We present a phenomenological model that estimates the energy cost of the OS layer as its thickness deviates from z 0 . 
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    Free, publicly-accessible full text available May 24, 2024
  6. Abstract

    The dispersed remnants of stellar nurseries, stellar associations, provide unparalleled samples of coeval stars critical for studies of stellar and planetary formation and evolution. The Carina Stellar Association is one of the closest stellar associations to Earth, and yet measurements of its age have varied from 13 to 45 Myr. We aim to update the age of Carina using the lithium depletion boundary (LDB) method. We obtain new measurements of the Li 6708 Å absorption feature in likely members using optical spectra from the Goodman High Throughput Spectrograph on SOAR and NRES on LCO. We detect the depletion boundary atMK≃ 6.8 (M5). This age is consistent within uncertainties across six different models, including those that account for magnetic fields and spots. We also estimate the age through analysis of the group’s overall variability, and by comparing the association members’ color–magnitude diagram to stellar evolutionary models using a Gaussian Mixture Model, recovering ages consistent with the LDB. Combining these age measures we obtain an age for the Carina association of415+3Myr. The resulting age agrees with the older end of previous age measurements and is consistent with the lithium depletion age for the neighboring Tucana-Horologium moving group.

     
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  7. A wedge cell made of homeotropically treated glass plates is filled with a chirally doped nematic liquid crystal. When a sufficiently large magnetic field is applied in the cell plane, a bend-like distortion occurs above a Fréedericksz threshold field H th . H th is reduced from the achiral case because of a field-induced bend distortion that facilitates a chiral twist distortion. Measurements of H th vs sample thickness are reported and compared favorably with a theoretical model presented herein. A further theoretical comparison is made between H th and the electric-field-induced transition in a geometry, exhibiting a 2π azimuthal degeneracy. The results may have technological implications in, for example, in-plane switching devices. 
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  8. A wedge cell made of homeotropically treated glass plates is filled with a chirally doped nematic liquid crystal. When a sufficiently large magnetic field is applied in the cell plane, a bend-like distortion occurs above a Fréedericksz threshold field H th . H th is reduced from the achiral case because of a field-induced bend distortion that facilitates a chiral twist distortion. Measurements of H th vs sample thickness are reported and compared favorably with a theoretical model presented herein. A further theoretical comparison is made between H th and the electric-field-induced transition in a geometry, exhibiting a 2π azimuthal degeneracy. The results may have technological implications in, for example, in-plane switching devices. 
    more » « less
  9. Free, publicly-accessible full text available May 1, 2024
  10. Free, publicly-accessible full text available April 1, 2024