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946 records · Page 42

Divergent Rickettsia species exhibit distinct mechanisms of actin-based motility

Many Rickettsia species undergo actin-based motility to promote cell-cell spread during infection. Rickettsial genomes often encode two motility effectors, RickA and Sca2, which in the spotted fever group I species, Rickettsia parkeri act by activating the host Arp2/3 complex and by mimicking eukaryotic formins, respectively. The function of RickA and Sca2 orthologs in the distantly related species Rickettsia bellii was unclear. We report that R. bellii RickA activates the host Arp2/3 complex but has no discernible role in bacterial motility. The R. bellii Sca2 ortholog, Sca2/6, nucleates and elongates actin with a flexible structure and an unusual actin monomer-binding motif in a mechanism distinct from formins or other microbial actin nucleators. R. bellii motility is solely correlated with Sca2/6 localization and, compared with R. parkeri motility, is slow and meandering, generating distinctly organized actin tails. The evolutionary flexibility in the mechanism and regulation of rickettsial actin-based motility suggests similar adaptability for other microbes.

Bacher, Meghan C

Sierra/SD - Users Manual - 5.32

Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high-fidelity, validated models used in modal, vibration, static and shock analysis. This document provides a user's guide to the input for Sierra/SD. Details of input specifications for the different solution types, output options, element types and parameters are included.

Beale, Dagny Marie [Sandia National Laboratories (

A Phenazine‐Based Two‐Dimensional Covalent Organic Framework for Photochemical CO 2 Reduction with Increased Selectivity for Two‐Carbon Products

Abstract The reduction of carbon dioxide (CO₂) into valuable products will contribute to sustainable carbon use. Here we report the photocatalytic reduction of CO₂ to carbon monoxide, formate, and oxalate ions using a redox‐active phenazine‐based 2D covalent organic framework (Phen‐COF) and its phenazine monomer. Under similar irradiation conditions,Phen‐COFproduced 2.9 times more CO, 11 times more formate, and 13 times more oxalate compared to equimolar amounts of the monomeric phenazine, demonstrating that the COF architecture enhances catalytic performance (TOF COF : 10 −7 s −1 CO, 10 −8 s −1 formate, and 10 −11 s −1 oxalate). Structural analysis, including X‐ray diffraction and N₂ porosimetry, confirmed the COF's long‐range order and porosity. Mechanistic studies suggest a sequential formate‐to‐oxalate pathway, with CO and formate acting as intermediates. These results demonstrate the potential of the COF architecture to improve the performance of metal‐free, redox‐active aromatic systems such as phenazines to facilitate efficient and selective CO₂ conversion under mild conditions.

Chemistry

Using Open Innovation in Reducing Risk to Crews

In the exploration of destinations outside of Earth's neighborhood, specifically Mars, scientific and engineering inquiries have occurred by two means; observations from satellites and observations by landed spacecraft. Satellite observations (Mariner, MRO, Mars Odyssey, provide global-scale spatial and temporal data while landed spacecraft (Viking, Mars Pathfinder, Spirit, Opportunity, Phoenix Mars Lander) investigate highly localized areas of the surface of the planet. In preparation for human exploration, extensive knowledge of the surface and atmospheric environments should be known before the first human leaves Earth. The primary goal of performing reconnaissance on Mars on a sub-global scale is to know as much as possible about the environment to which crews will be subjected. At the current rate of launching and landing probes to Mars, it will take a very long time to understand the surface and atmospheric conditions associated with the regions where prospective crews may land. Meanwhile electronics and electrical systems are rapidly getting smaller. One can argue that to acquire the knowledge of the region, one must take hundreds, maybe thousands of measurements simultaneously. One means to perform such a task is to deploy a swarm of sensors. Such a swarm would perform an in-situ assessment of the region. Imagine a close flyby mission to Mars for example, where mini- to micro-sensors are deposited into the atmosphere over half an orbit or more. The sensors, captured by the atmospheric drag and Martian gravity slowly descend buffeted about by Martian winds and weather until they settle on the surface a great time later (think of how long dust takes to settle). As they descend they communicate a vast array of data; temperature, chemistry, pressure, radiation dose, electric or magnetic properties from a region of the planet and an individual sensor need not measure the same quantity as its neighbors. Initially, they could move at the whim of the environment but later versions could have locomotion or propulsion mechanisms. Humans wouldn't need to decide where the sensors go, the sensors do that for themselves. This is a key strength of a sensor swarm. The intelligence relies on the group not on a decision maker on earth. Real time sensor inputs direct what the swarm considers most interesting to investigate resulting in emergent behavior. We issued a $20,000 challenge to the global innovators to provide solutions as to how such a swarm could be initialized and by what protocols and methodologies by which they operate. Over 400 innovators from 49 countries took a look at the problem, with three receiving partial awards for solutions.

Mel Ferebee

Computation of three-dimensional mixed convective boundary layer flow

The paper presents the numerical solution of heat and mass transfer during cross-flow (orthogonal) mixed convection. In this class of flow, a buoyancy-driven transport in the vertical direction and a forced convective flow in the horizontal direction results in a three-dimensional boundary layer structure adjacent to the plate. The rates of heat and mass transfer are determined by a combined influence of the two transport processes. The equations for the conservation of mass, momentum, energy, and species concentration were solved along with appropriate boundary conditions to determine the distributions of velocity components, temperature, and concentration across the thickness of the boundary layer at different locations on the plate. Results were expressed in dimensionless form using Reynolds number, Richardson number for heat transfer, Richardson number for mass transfer, Prandtl number, and Schmidt number as parameters. It was found that the transport is dominated by buoyancy at smaller vertical locations and at larger distances away from the forced convection leading edge. Effects of forced convection appeared to be very strong at smaller horizontal distances from the leading edge. The cross stream forced convection enhanced the rate of heat and mass transfer by a very significant amount.

Prashandt Gadepalli

Achieving 20.1% Efficiency in Organic Solar Cells Through Interconnected Fibrillar Networks via Local Molecular Stacking

ABSTRACT The performance of organic solar cells (OSCs) is governed by how molecular packing evolves into interconnected networks that facilitate exciton dissociation and charge transport. Using an all‐small‐molecule blend DR3TSBDT:Y6 as a model system, we study how local molecular stacking evolves into performance‐relevant morphology during solvent vapor annealing (SVA) and subsequent thermal annealing (TA). SVA promotes end‐to‐end stacking of amorphous acceptors to form interconnected fibrils, while TA compacts inter‐fibril spacing without disrupting favorable local order. Such molecular‐to‐morphological refinements broaden light absorption, enhance charge transport, and markedly improve device efficiency. Extending this approach to additional blend systems (D18:Y6, D18:L8‐BO, and DR3TSBDT:L8‐BO) yields similar structural evolution and performance gains, with the D18:L8‐BO system achieving up to 20.10% PCE. Our study establishes control over local stacking in amorphous acceptors into fibrillar networks as a general and effective route to realize high‐performance OSCs.

Wu, Junying

Sierra/SD Verification Test Manual 5.32

Tests from the Sierra Structural Dynamics verification test suite are reviewed. For each of the tests presented in this document the test setup, derivation of the analytic solution, and comparison of the Sierra code results to the analytic solution is provided. This document can be used to confirm that a given code capability is verified or referenced as a compilation of example problems.

Beale, Dagny Marie [Sandia National Laboratories (

IUS materials outgassing condensation effects on sensitive spacecraft surfaces

Four materials used on the inertial upper state (IUS) were subjected to vacuum conditions and heated to near-operational temperatures (93 to 316 C), releasing volatile materials. A fraction of the volatile materials were collected on 25 C solar cells, optical solar reflectors (OSR's) or aluminized Mylar. The contaminated surfaces were exposed to 26 equivalent sun hours of simulated solar ultraviolet (UV) radiation. Measurements of contamination deposit mass, structure, reflectance and effects on solar cell power output were made before and after UV irradiation. Standard total mass loss - volatile condensible materials (TML - VCM) tests were also performed. A 2500 A thick contaminant layer produced by EPDM rubber motor-case insulation outgassing increased the solar absorptance of the OSR's from 0.07 to 0.14, and to 0.18 after UV exposure. An 83,000 A layer caused an increase from 0.07 to 0.21, and then the 0.46 after UV exposure. The Kevlar-epoxy motor-case material outgassing condensation raised the absorptance from 0.07 to 0.13, but UV had no effect. Outgassing from multilayer insulation and carbon-carbon nozzle materials did not affect the solar absorptance of the OSR's.

C. R. Mullen

A Novel Low-Profile High-Efficiency Three-Phase Matrix Transformer

High step-down isolated DC-DC conversion from an 800 V DC bus to low-voltage, high-current outputs is required in automotive auxiliary converters and data center power supplies. In such applications, conventional transformer-based converters require large turns ratios, which increase winding resistance, leakage inductance, and magnetic height. This paper proposes a novel low-profile three-phase matrix transformer that realizes a large effective voltage ratio through flux division among multiple secondary legs, without increasing the physical turns count of each winding. As a result, the proposed structure reduces copper usage and transformer height while preserving the voltage conversion capability of a conventional three-phase transformer. Finite element analysis shows that the proposed design reduces magnetic height by 27%, ferrite volume by 34%, and copper volume by 28%. Circuit-level simulations of an 800 V/12 V,3 kW CLLLC dual-active-bridge converter further show that the lower winding resistance reduces total system loss by 91% and increases DC-DC efficiency from 82.6% to 97.6% at 3 kW output.

Inoue, Shuntaro [ORNL] (ORCID:0000000262637627)

Integrated Approach to Post-Irradiation Examination of Nuclear Materials at Idaho National Laboratory

Idaho national Laboratory (INL) is the U.S. lead national laboratory for the Department of Energy’s Office of Nuclear Energy (DOE-NE), providing much of the nuclear research, development and demonstration capability needed to move nuclear innovation forward to deployment. INL’s Materials and Fuels Complex hosts a unique combination of personnel, facilities and infrastructure and offers the ability to perform post-irradiation examinations (PIE) of nuclear materials spanning multiple length scales. The ability to combine engineering-scale analysis and sub-microscopic characterization provides valuable insights into fuel and structural material behavior and degradation mechanisms. The holistic approach is used to accelerate these materials demonstration and deployment. Selected studies will be presented, highlighting the impact of these techniques on improving fuel reliability, safety, and efficiency, thereby advancing the development of sustainable and advanced nuclear energy technologies.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS

A Study of Space Environment Effect on Highly Thermally Conductive Hybrid Carbon Fiber Polymer Composites

A set of novel highly thermally conductive hybrid carbon fiber (CF) polymer composites has been developed for lightweight thermal radiator applications in space missions. This study investigates the effects of the space environment on these materials following exposure in low-Earth orbit (LEO) during the Materials International Space Station Experiment (MISSE)-17 flight mission, where samples experienced 159 days of combined atomic oxygen (AO), ultraviolet (UV) radiation, high vacuum, space radiation and thermal cycling. Post-flight characterization included weight loss, surface morphology, thermo-optical properties, molecular structures, glass transition temperature, thermal degradation and thermal conductivity analyses. The pyrolytic graphite sheet (PGS) samples exhibited negligible weight loss, stable thermo-optical property, and only minor oxidation signature on the exposed surface. Although AO erosion of the epoxy polymer matrix was evident, carbon nanotube (CNT)-infused PGS/CF epoxy composites retained high thermal emissivity and preserved their high thermal conductivities. These results demonstrate that the novel highly thermally conductive hybrid CF composites possess strong environmental resilience and are promising candidates for lightweight thermal radiators and thermal management components in future space exploration missions.

Space Environment

Radiation-induced alteration of apatite on the surface of Mars: first in situ observations with SuperCam Raman onboard Perseverance

Abstract Planetary exploration relies considerably on mineral characterization to advance our understanding of the solar system, the planets and their evolution. Thus, we must understand past and present processes that can alter materials exposed on the surface, affecting space mission data. Here, we analyze the first dataset monitoring the evolution of a known mineral target in situ on the Martian surface, brought there as a SuperCam calibration target onboard the Perseverance rover. We used Raman spectroscopy to monitor the crystalline state of a synthetic apatite sample over the first 950 Martian days (sols) of the Mars2020 mission. We note significant variations in the Raman spectra acquired on this target, specifically a decrease in the relative contribution of the Raman signal to the total signal. These observations are consistent with the results of a UV-irradiation test performed in the laboratory under conditions mimicking ambient Martian conditions. We conclude that the observed evolution reflects an alteration of the material, specifically the creation of electronic defects, due to its exposure to the Martian environment and, in particular, UV irradiation. This ongoing process of alteration of the Martian surface needs to be taken into account for mineralogical space mission data analysis.

Science & Technology - Other Topics

Commutative Algebra Modeling in Materials Science – A Case Study on Metal–Organic Frameworks (MOFs)

Metal-organic frameworks (MOFs) are a class of important crystalline and highly porous materials whose hierarchical geometry and chemistry hinder interpretable predictions in materials properties. Commutative algebra is a branch of abstract algebra that has been rarely applied in data and material sciences. We introduce the first ever commutative algebra modeling and prediction in materials science. Specifically, category-specific commutative algebra (CSCA) is proposed as a new framework for MOF representation and learning. It integrates element-based categorization with multiscale algebraic invariants to encode both local coordination motifs and global network organization of MOFs. These algebraically consistent, chemically aware representations enable compact, interpretable, and data efficient modeling of MOF properties such as Henry’s constants and uptake capacities for common gases. Compared to traditional geometric and graph-based approaches, CSCA achieves comparable or superior predictive accuracy while substantially improving interpretability and stability across data sets. By aligning commutative algebra with the chemical hierarchy, the CSCA establishes a rigorous and generalizable paradigm for understanding structure and property relationships in porous materials and provides a nonlinear algebra-based framework for data-driven material discovery.

Khaemba, Caleb S.

The Solid Surface Combustion Experiment Aboard the USML-1 Mission

AA Experimental results from the five experiments indicate that flame spread rate increases with increasing ambient oxygen content and pressure. An experiment was conducted aboard STS-50/USML-1 in the solid Surface Combustion Experiment (SSCE) hardware for flame spread over a thin cellulosic fuel in a quiescent oxidizer of 35% oxygen/65% nitrogen at 1.0 atm. pressure in microgravity. The USML-1 test was the fourth of five planned experiments for thin fuels, one performed during each of five Space Shuttle Orbiter flights. Data that were gathered include gas- and solid-phase temperatures and motion picture flame images. Observations of the flame are described and compared to theoretical predictions from steady and unsteady models that include flame radiation from CO2 and H2O. Experimental results from the five esperiments indicate that flame spread rate increases with increasing ambient oxygen content and pressure. The brightness of the flame and the visible soot radiation also increase with increasing spread rate. Steady-state numerical predictions of temperature and spread rate and flame structure trends compare well with experimental results near the flame's leading edge while gradual flame evolution is captured through the unsteady model.

Robert A Altenkirch

Synthesis of Ultra‐Incompressible and Recoverable Carbon Nitrides Featuring CN 4 Tetrahedra

Abstract Carbon nitrides featuring three‐dimensional frameworks of CN 4 tetrahedra are one of the great aspirations of materials science, expected to have a hardness greater than or comparable to diamond. After more than three decades of efforts to synthesize them, no unambiguous evidence of their existence has been delivered. Here, the high‐pressure high‐temperature synthesis of three carbon–nitrogen compounds,tI14‐C 3 N 4 ,hP126‐C 3 N 4 , andtI24‐CN 2 , in laser‐heated diamond anvil cells, is reported. Their structures are solved and refined using synchrotron single‐crystal X‐ray diffraction. Physical properties investigations show that these strongly covalently bonded materials, ultra‐incompressible and superhard, also possess high energy density, piezoelectric, and photoluminescence properties. The novel carbon nitrides are unique among high‐pressure materials, as being produced above 100 GPa they are recoverable in air at ambient conditions.

Chemistry

Predicting microstructurally sensitive fatigue‐crack path in WE43 magnesium using high‐fidelity numerical modeling and three‐dimensional experimental characterization

Abstract Microstructurally small fatigue‐crack growth in polycrystalline materials is highly three‐dimensional due to sensitivity to local microstructural features (e.g., grains). One requirement for modeling microstructurally sensitive crack propagation is establishing the criteria that govern crack evolution, including crack deflection. Here, a high‐fidelity finite‐element modeling framework is used to assess the performance and validity of various crack‐growth criteria, including slip‐based metrics (e.g., fatigue‐indicator parameters), as potential criteria for predicting three‐dimensional crack paths in polycrystalline materials. The modeling framework represents cracks as geometrically explicit discontinuities and involves voxel‐based remeshing, mesh‐gradation control, and a crystal‐plasticity constitutive model. The predictions are compared to experimental measurements of WE43 magnesium samples subject to fatigue loading, for which three‐dimensional grain structures and fatigue‐crack surfaces were measured post‐mortem using near‐field high‐energy x‐ray diffraction microscopy and x‐ray computed tomography. Findings from this work are expected to improve the predictive capabilities of simulations involving microstructurally small fatigue‐crack growth in polycrystalline materials.

Engineering

Understanding and Predicting the Spatially Resolved Adsorption Properties of Nanoporous Materials

Using knowledge from statistical thermodynamics and crystallography, we develop an image–image translation model, called SorbIIT, that uses three-dimensional grids of adsorbate–adsorbent interaction energies as input to predict the spatially resolved loading surface of nanoporous materials over a broad range of temperatures and pressures. SorbIIT consists of a closed-form differential model for loading-surface prediction and a U-Net to generate spatial differential distributions from the energy grids. SorbIIT is trained using the energy grids and adsorbate distributions (obtained from high-throughput simulations) of 50 synthesized and 70 hypothetical zeolites and applied for predicting the adsorption of carbon dioxide, hydrogen sulfide, n-butane, 2-methylpropane, krypton, and xenon in other zeolites from 256 to 400 K. In conclusion, employing a quadratic isotherm model for the local differentiation, SorbIIT yields mean R 2 values of 0.998 for total adsorption and 0.6904 for local adsorption with a resolution of 0.2 Å, and a value of 0.721 for the structural similarity of the local loading distribution.

Sun, Yangzesheng [Univ. of Minnesota, Minneapolis,

Investigating Dual Electrospinning as a Means of Enhancing Passive Thermal Control Coatings for Cryogenic Propellant Storage in Extraterrestrial Environments

Passive thermal control is necessary as space exploration becomes increasingly widespread. Materials with superior optical properties (high solar reflectance and infrared emittance) are critical for passive thermal control because they can reject most of the incident solar radiation and promote thermal emission from cryogenic propellant storage tanks, enabling the extraterrestrial storage of cryogens. We have demonstrated in previous studies that electrospun nanofibers exhibit exceptional optical properties, offering significant benefits for passive radiative cooling in space. Particularly, electrospun polyvinylidene fluoride-co-hexafluoropropylene PVDF-HFP nanofibers demonstrate exceptionally high solar reflectance (>99%) and strong thermal emittance (measured at ~300 K). However, they exhibit nanostructural changes in the presence of atomic oxygen, which is prevalent in Low Earth Orbit. This study focuses on creating a unique blend of polymeric (PVDF-HFP) and ceramic-based (silica) nanofibers by leveraging the chemical stability and atomic oxygen resistance of silica, using the dual electrospinning manufacturing method. This approach aims to preserve the structural properties of the polymeric counterpart without compromising its optical performance, thereby providing an innovative method for manufacturing environmentally resilient passive thermal control nanofibers with desirable optical and thermal control functionalities for extraterrestrial storage of cryogenic propellants.

Chieloka Ibekwe