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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Conformational Domain Wall Switch

Domain walls in ferroelectric materials have tantalizing potential in disruptive memory and reconfigurable nanoelectronics technologies. Here, a ferroelectric domain wall switch with three distinct addressable resistance states is demonstrated. The device operation hinges on fully controllable and reversible conformational changes of the domain wall. As validated by atomistic simulations consistent with the experiments, using electric field, the shape—and hence the charge state—of the domain wall and ultimately its conduction are altered. Sequential nanoscale transitions of the walls are visualized directly using stroboscopic-piezoresponse force microscopy and Kelvin probe microscopy. In this work, anisotropic head-to-head domain wall injection, stabilized by the majority carrier type of the ferroelectric, BiFeO 3 , is identified as the key factor that enables conformational control.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Controlled Nucleation and Stabilization of Ferroelectric Domain Wall Patterns in Epitaxial (110) Bismuth Ferrite Heterostructures

Ferroelectric domain walls, topological entities separating domains of uniform polarization, are promising candidates as active elements for nanoscale memories. In such applications, controlled nucleation and stabilization of domain walls are critical. In this work, using in situ transmission electron microscopy and phase-field simulations, a controlled nucleation of vertically oriented 109° domain walls in (110)-oriented BiFeO 3 (BFO) thin films is reported. In the switching experiment, reversed domains that are nucleated preferentially at the nanoscale edges of the “crest and sag” pattern-like electrode under external bias subsequently grow into a stable stripe configuration. In addition, when triangular pockets (with an in-plane polarization component) are present, these domain walls are pinned to form stable flux-closure domains. Phase field simulations show that i) field enhancement at the edges of the electrode causes site-specific domain nucleation, and ii) the local electrostatics at the domain walls drives the formation of flux closure domains, thus stabilizing the striped pattern, irrespective of the initial configuration. The results demonstrate how flux closure pinning can be exploited in conjunction with electrode patterning and substrate orientation to achieve a desired topological defect configuration. These insights constitute critical advancements in exploiting domain walls in next generation ferroelectronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Disentangling Ferroelectric Wall Dynamics and Identification of Pinning Mechanisms via Deep Learning

Field-induced domain-wall dynamics in ferroelectric materials underpins multiple applications ranging from actuators to information technology devices and necessitates a quantitative description of the associated mechanisms including giant electromechanical couplings, controlled nonlinearities, or low coercive voltages. While the advances in dynamic piezoresponse force microscopy measurements over the last two decades have rendered visualization of polarization dynamics relatively straightforward, the associated insights into the local mechanisms have been elusive. This work explores the domain dynamics in model polycrystalline materials using a workflow combining deep-learning-based segmentation of the domain structures with nonlinear dimensionality reduction using multilayer rotationally invariant autoencoders (rVAE). The former allows unambiguous identification and classification of the ferroelectric and ferroelastic domain walls. Here, the rVAE discovers the latent representations of the domain wall geometries and their dynamics, consequently providing insight into the intrinsic mechanisms of polarization switching, that can further be compared to simple physical models. The rVAE disentangles the factors affecting the pinning efficiency of ferroelectric walls, offering insights into the correlation of ferroelastic wall distribution and ferroelectric wall pinning.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Exploring Physics of Ferroelectric Domain Walls in Real Time: Deep Learning Enabled Scanning Probe Microscopy

The functionality of ferroelastic domain walls in ferroelectric materials is explored in real-time via the in situ implementation of computer vision algorithms in scanning probe microscopy (SPM) experiment. The robust deep convolutional neural network (DCNN) is implemented based on a deep residual learning framework (Res) and holistically nested edge detection (Hed), and ensembled to minimize the out-of-distribution drift effects. The DCNN is implemented for real-time operations on SPM, converting the data stream into the semantically segmented image of domain walls and the corresponding uncertainty. Further the pre-defined experimental workflows perform piezoresponse spectroscopy measurement on thus discovered domain walls, and alternating high- and low-polarization dynamic (out-of-plane) ferroelastic domain walls in a PbTiO 3 (PTO) thin film and high polarization dynamic (out-of-plane) at short ferroelastic walls (compared with long ferroelastic walls) in a lead zirconate titanate (PZT) thin film is reported. This work establishes the framework for real-time DCNN analysis of data streams in scanning probe and other microscopies and highlights the role of out-of-distribution effects and strategies to ameliorate them in real time analytics.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Potential benefits of cool walls on residential and commercial buildings across California and the United States: Conserving energy, saving money, and reducing emission of greenhouse gases and air pollutants

Solar-reflective “cool” walls reduce absorption of sunlight by the building envelope, which may decrease cooling load in warm weather and increase heating load in cool weather. Changes to annual heating, ventilation, and air conditioning (HVAC) energy use depend on climate, wall construction, wall orientation, building geometry, HVAC efficiency, and operating schedule. Changes to annual energy cost and energy-related emissions further vary with local energy prices and emission factors. In this work, we used EnergyPlus to perform over 100,000 whole-building energy simulations, spanning 10 different building categories, three building vintages, 16 California climate zones, and 15 United States (U.S.) climate zones. We find that cool walls yielded annual source energy, energy cost, and emission savings in all California climate zones and in warm U.S. (ASHRAE) climate zones. In California, annual whole-building HVAC energy cost savings were 4.0–27% in single-family homes, 0.5–3.8% in medium office buildings, and 0.0–8.5% in stand-alone retail stores. In warm U.S. climates—zones 1A (Miami, FL) through 4B (Albuquerque, NM)—annual HVAC energy cost savings were 1.8–8.3% in single-family homes, 0.3–4.6% in medium office buildings, and 0.5–11% in stand-alone retail stores. California and U.S. fractional source energy and emission savings were comparable to fractional energy cost savings. Per unit surface area modified, cool-wall savings often exceeded cool-roof savings because building codes typically prescribe much less wall insulation than roof insulation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Correlated mechanochemical maps of Arabidopsis thaliana primary cell walls using atomic force microscope infrared spectroscopy

Spatial heterogeneity in composition and organisation of the primary cell wall affects the mechanics of cellular morphogenesis. However, directly correlating cell wall composition, organisation and mechanics has been challenging. To overcome this barrier, we applied atomic force microscopy coupled with infrared (AFM-IR) spectroscopy to generate spatially correlated maps of chemical and mechanical properties for paraformaldehyde-fixed, intact Arabidopsis thaliana epidermal cell walls. AFM-IR spectra were deconvoluted by non-negative matrix factorisation (NMF) into a linear combination of IR spectral factors representing sets of chemical groups comprising different cell wall components. This approach enables quantification of chemical composition from IR spectral signatures and visualisation of chemical heterogeneity at nanometer resolution. Cross-correlation analysis of the spatial distribution of NMFs and mechanical properties suggests that the carbohydrate composition of cell wall junctions correlates with increased local stiffness. Together, our work establishes new methodology to use AFM-IR for the mechanochemical analysis of intact plant primary cell walls.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Regiospecific Cellulose Orientation and Anisotropic Mechanical Property in Plant Cell Walls

Cellulose microfibrils (CMFs) are a major load-bearing component in plant cell walls. Thus, their structures have been studied extensively with spectroscopic and microscopic characterization methods; but the findings from these two approaches were inconsistent, which hampers mechanistic understanding of cell wall mechanics. Here, we report the regiospecific assembly of CMFs in the periclinal wall of plant epidermal cells. Using sum frequency generation spectroscopic imaging, we found that CMFs are highly aligned in the cell edge region where two cells form a junction, whereas they are mostly isotropic on average throughout the wall thickness in the flat face region of the epidermal cell. This subcellular-level heterogeneity in CMF alignment provided insights into tissue-level anisotropy in tensile modulus of cell wall materials. Furthermore, this finding also has resolved a previous contradiction between the spectroscopic and microscopic imaging studies, which paves a foundation for better understanding of cell wall artichecture, especially structure-geometry relationships.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Progress Toward Simulating Departure from Nucleate Boiling at High-Pressure Applications with Selected Wall Boiling Closures

Recently, a Eulerian-based two-fluid computational fluid dynamics (CFD) framework with a wall heat flux partitioning approach has been intensively investigated for departure from nucleate boiling (DNB) simulation under the U.S. Department of Energy–funded Consortium for Advanced Simulation of Light Water Reactors (CASL) program. Understanding of the DNB characteristics over a range of pressurized water reactor–like operating conditions and accurate prediction of boiling crisis in the nuclear power system have been grand challenges because of the large impact of DNB on reactor safety and operational economics. The ultimate goal of this task in the CASL program is to introduce a robust multiphase CFD–based DNB modeling framework that is capable of characterizing an entire boiling history in which the wall boiling mode experiences the following through multiple stages of heat transfer mode: (1) single-phase convective heat transfer, (2) nucleate boiling heat transfer, and (3) identification of the departure of nucleate boiling. To validate the CASL boiling model, we have benchmarked simulated DNB over three different flow channel configurations (pipe flow, 5 × 5 fuel bundle with mixing vane tests, and 5 × 5 fuel bundle without mixing vane tests) against experimental measurements, and the validation result with open literature is reported. The DNB detection criteria in the simulation are checked by monitoring the peak wall temperature, wall dryout factor, and net energy balance. In addition to the DNB performance test, some preliminary sensitivity results on closure model selection are reported to address the prediction capability of local void profile against measurements. The boiling simulation tested in this study exhibits a maximum deviation of 24% from the measured DNB value in a high-pressure (i.e., 138 bars) subcooled pipe flow test. The ranges of operating conditions are as follows: 1650 to 2650 kg/m 2 ·s for mass flux and 8.5 to 96 K for subcooled inlet temperature. The deviation is even reduced to 7% when the subcooled temperature is less than 40 K. Besides accuracy, base practice guidelines for DNB detection criteria are tested by monitoring three simulation variables: (1) maximum wall temperature, (2) wall dryout factor (i.e., K-value), and (3) energy balance. Numerical robustness of DNB simulation is largely achieved in most of the validation test except for a few high subcooled test cases.

42 ENGINEERING↗
DOE OSTI2024

Resistive wall tearing mode disruptions

Abstract This paper deals with resistive wall tearing mode (RWTM) disruptions. RWTMs are closely related to resistive wall modes. RWTMs are tearing modes whose linear and nonlinear behavior is strongly dependent on the resistive wall outside the plasma. The consequence for ITER, is that the thermal quench timescale could be much longer than previously conjectured. Active feedback stabilization is another possible way to mitigate or prevent RWTM disruptions. Simulations of RWTM disruptions are reviewed for DIII-D and MST. MST has a longer resistive wall time than ITER, and disruptions are not observed experimentally when MST is operated as a standard tokamak. Simulations indicate that the RWTM disruption time scale is longer than the experimental shot time. Edge cooling causes contraction of the current profile, which can destabilize RWTMs. The equilibria studied here have the q = 2 rational surface close to the edge of the plasma, and low current density between the q = 2 surface and the wall. A sequence of low edge current model equilibria has major disruptions only for a resistive, not ideal, wall, and edge q ⩽ 3.4 . This is consistent with regimes of tokamak disruptivity, suggesting that tokamak disruptions caused by edge cooling at low edge q could be RWTMs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Advances in Cell Wall Matrix Research with a Focus on Mixed-Linkage Glucan

Mixed β(1,3;1,4)-linkage glucan (MLG) is commonly found in the monocot lineage, at particularly high levels in the Poaceae family, but also in the evolutionally distant genus, Equisetum. MLG has several properties that make it unique from other plant cell wall polysaccharides. It consists of β1,4-linked polymers of glucose interspersed with β1,3-linkages, but the presence of β1,3-linkages provides quite different physical properties compared to its closest form of the cell wall component, cellulose. The mechanisms of MLG biosynthesis have been investigated to understand whether single or multiple enzymes are required to build mixed linkages in the glucan chain. Currently, MLG synthesis by a single enzyme is supported by mutagenesis analyses of cellulose synthase-like F6, the major MLG synthase, but further investigation is needed to gather mechanistic insights. Because of transient accumulation of MLG in elongating cells and vegetative tissues, several hypotheses have been proposed to explain the role of MLG in the plant cell wall. Studies have been carried out to identify gene expression regulators during development and light cycles as well as enzymes involved in MLG organization in the cell wall. A role of MLG as a storage molecule in grains is evident, but the role of MLG in vegetative tissues is still not well understood. Characterization of a cell wall component is difficult due to the complex heterogeneity of the plant cell wall. Furthermore, as detailed in this review, recent exciting research has made significant impacts in the understanding of MLG biology in plants.

Transglucosylase/hydrolase (XTH)↗
DOE OSTI2019

Atomic and electronic structure of domains walls in a polar metal

Polar metals counterintuitively bring two well-known phenomena into coexistence, namely, bulk polar displacements, and an electronic Fermi surface giving rise to metallic conduction. Furthermore, little is known about the polar domains or domain walls in such materials. Using atomic resolution electron microscopy imaging combined with first principles density functional theory, we show that uncharged head-to-tail walls, and “charged” head-to-head and tail-to-tail walls can exist in the bulk of such crystals of polar metals Ca 3 Ru 2 O 7 , where both structural changes at the wall as well as electrostatic considerations define the wall nature. Significant built-in potentials of 30–170 meV are predicted at such walls.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Elongated galactan side chains mediate cellulose–pectin interactions in engineered Arabidopsis secondary cell walls

SUMMARY The plant secondary cell wall is a thickened matrix of polysaccharides and lignin deposited at the cessation of growth in some cells. It forms the majority of carbon in lignocellulosic biomass, and it is an abundant and renewable source for forage, fiber, materials, fuels, and bioproducts. The complex structure and arrangement of the cell wall polymers mean that the carbon is difficult to access in an economical and sustainable way. One solution is to alter the cell wall polymer structure so that it is more suited to downstream processing. However, it remains difficult to predict what the effects of this engineering will be on the assembly, architecture, and properties of the cell wall. Here, we make use of Arabidopsis plants expressing a suite of genes to increase pectic galactan chain length in the secondary cell wall. Using multi‐dimensional solid‐state nuclear magnetic resonance, we show that increasing galactan chain length enhances pectin–cellulose spatial contacts and increases cellulose crystallinity. We also found that the increased galactan content leads to fewer spatial contacts of cellulose with xyloglucan and the backbone of pectin. Hence, we propose that the elongated galactan side chains compete with xyloglucan and the pectic backbone for cellulose interactions. Due to the galactan topology, this may result in comparatively weak interactions and disrupt the cell wall architecture. Therefore, introduction of this strategy into trees or other bioenergy crops would benefit from cell‐specific expression strategies to avoid negative effects on plant growth.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

The three cellulose synthase isoforms for secondary cell wall make specific contributions to microfibril synthesis

Cellulose is synthesized at the plasma membrane by the cellulose synthase complex, a structure that contains three distinct isoforms of the catalytic subunit, cellulose synthase A (CESA). The division into three subunits appears early in land plant evolution and is highly conserved, particularly for the secondary cell wall. However, what if any unique roles each isoform plays in the complex remain unclear. Here, we assessed the contributions of specific isoforms to microfibril synthesis. First, we expressed CESA isoforms of the primary cell wall or the moss Physcomitrium patens in Arabidopsis thaliana backgrounds missing a secondary cell wall CESA. While the primary cell wall isoforms rescued the cesa knockout phenotype with partial isoform specificity, those from the moss rescued with fewer restrictions. Then, we recreated various CESA missense mutations in all three of the secondary cell wall isoforms; while results are consistent with isoform specificity, they are difficult to interpret further without molecular structures. Finally, we show that catalytically inactive CESA isoforms restore growth and cellulose content in the corresponding knockout in an isoform-specific manner; along with partial rescue of the growth and cellulose content of the inflorescence stem, the replacement lines have fiber cells with partially disorganized microfibrils and secondary cell wall cellulose with narrow crystal width. Generally, effects were more pronounced in lines where CESA8 was inactivated compared with inactivating CESA4 or 7, which tended to have similar phenotypes to each other. Here, we account for these results with a model for cellulose synthase structure with the isoforms assigned specific localization within the cellulose synthase complex.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Sci-Fri PM: Radiation Therapy, Planning, Imaging, and Special Techniques - 11: Quantification of chest wall motion during deep inspiration breast hold treatments using cine EPID images and a physics based algorithm

Purpose: This work presents an algorithm used to quantify intra-fraction motion for patients treated using deep inspiration breath hold (DIBH). The algorithm quantifies the position of the chest wall in breast tangent fields using electronic portal images. Methods: The algorithm assumes that image profiles, taken along a direction perpendicular to the medial border of the field, follow a monotonically and smooth decreasing function. This assumption is invalid in the presence of lung and can be used to calculate chest wall position. The algorithm was validated by determining the position of the chest wall for varying field edge positions in portal images of a thoracic phantom. The algorithm was used to quantify intra-fraction motion in cine images for 7 patients treated with DIBH. Results: Phantom results show that changes in the distance between chest wall and field edge were accurate within 0.1 mm on average. For a fixed field edge, the algorithm calculates the position of the chest wall with a 0.2 mm standard deviation. Intra-fraction motion for DIBH patients was within 1 mm 91.4% of the time and within 1.5 mm 97.9% of the time. The maximum intra-fraction motion was 3.0 mm. Conclusions: A physics based algorithm was developed and can be used to quantify the position of chest wall irradiated in tangent portal images with an accuracy of 0.1 mm and precision of 0.6 mm. Intra-fraction motion for patients treated with DIBH at our clinic is less than 3 mm.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Modeling fiber reinforced polymer (FRP) coating in retrofitting concrete walls against explosive loads

One of the issues considered in the design and dynamic resistance of structures (as seismic or explosive) is the use of materials which cause reduction in the force applied on the structure. With regard to the fact that greater loading is on the wall of concrete structures, the use of materials that reduce explosive force on the structure wall are among explosive force reduction methods.One of the viscose and damping materials of polymers is FRP, and in this study the FLAC3D software is used to evaluate the effect of this material on reducing force implemented on the walls and hence reduction of wall movement due to explosion. The concrete wall along with the FRP layer is modeled under dynamic loading. The effect of damping coefficient, number of FRP layers and concrete wall thickness has been evaluated.

42 ENGINEERING↗
DOE OSTI2015

Radial force on the vacuum chamber wall during thermal quench in tokamaks

The radial force balance during a thermal quench in tokamaks is analyzed. As a rule, the duration τ{sub tp} of such events is much shorter than the resistive time τ{sub w} of the vacuum chamber wall. Therefore, the perturbations of the magnetic field B produced by the evolving plasma cannot penetrate the wall, which makes different the magnetic pressures on its inner and outer sides. The goal of this work is the analytical estimation of the resulting integral radial force on the wall. The plasma is considered axially symmetric; for the description of radial forces on the wall, the results of V.D. Shafranov’s classical work [J. Nucl. Energy C 5, 251 (1963)] are used. Developed for tokamaks, the standard equilibrium theory considers three interacting systems: plasma, poloidal field coils, and toroidal field coils. Here, the wall is additionally incorporated with currents driven by ∂B/∂t≠0 accompanying the fast loss of the plasma thermal energy. It is shown that they essentially affect the force redistribution, thereby leading to large loads on the wall. The estimates prove that these loads have to be accounted for in the disruptive scenarios in large tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Renewable low-Z wall for fusion reactors with built-in tritium recovery (Final Technical Report)

This project pursued development of a novel renewable plasma-facing wall technology for fusion reactors. The technology is based on a slurry which can be easily delivered by delivery tubes to the reactor wall. The slurry dries at the hot reactor wall into pebble rods which are extruded out into the hot plasma, where the pebbles break off and fall along the reactor wall and can be recovered by gravity and re-used. The falling pebbles carry away heat and tritium and also protect the wall against large scale erosion or redeposition of material. The research focused on carbon-based pebble rods and demonstrated that pebble rods could be produced from slurry with tolerable levels of outgassing on a reactor-relevant timescale (< 5 minutes). Steady-state handling of reactor relevant (up to 50 MW/m 2 ) normal-incidence heat loads was demonstrated. Pebble release velocities were found to be sufficiently small (< 1 m/s) to allow recovery below the vacuum chamber. Tunability of the pebble rod breaking rate was demonstrated by changing the fill fraction of the interpebble matrix which binds the pebbles together. This work could benefit the public by helping move forward the design of commercially viable fusion energy reactors. Designing a first wall for magnetic fusion reactors which can handle the huge heat loads present and also avoid buildup of tritium-containing deposits is extremely challenging and requires novel approaches like the one being investigated here.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Measure Guideline: Deep Energy Enclosure Retrofit for Interior Insulation of Masonry Walls and Flat Roofs

Measure Guideline: Deep Energy Enclosure Retrofit for Zero Energy Ready House Flat Roofs BSC TO5 Task 7.4 Deep Energy Enclosure Retrofit (DEER) for Interior Insulation of Masonry Walls Lawrence, MA 01840 This Measure Guideline describes a deep energy enclosure retrofit solution for insulating mass masonry buildings from the interior. It describes the retrofit assembly, technical details, and installation sequence for retrofitting masonry walls. Interior insulation of masonry retrofits might adversely affect the durability of the wall. This guideline includes a review of decision criteria pertinent to retrofitting masonry walls from the interior and the possible risk of freeze-thaw damage. This Measure Guideline is intended to support contractors who are implementing an interior insulation-based high-performance enclosure retrofit for masonry buildings and designers who are looking to design such retrofits. It may also be helpful to building owners who wish to learn more about strategies that are available for deep energy enclosure retrofit of masonry residential buildings on the interior. This Measure Guideline is important to the high-performance retrofit industry because the solution described here provides an opportunity to retrofit masonry buildings with ambitious energy performance goals by insulating them from the interior without disturbing their exterior appearance. BSC TO5 Task 7.4 Deep Energy Enclosure Retrofit (DEER) for Zero Energy Ready House (ZERH) Flat Roofs House Jamaica Plain, MA 02130 This Measure Guideline provides design and construction information for a deep energy enclosure retrofit solution of a flat roof assembly. It describes the strategies and procedures for an exterior retrofit of a flat wood-framed roof with brick masonry exterior walls using exterior and interior (framing cavity) insulation. The approach supported in this guide could also be adapted for use with flat wood-framed roofs with wood-framed exterior walls. Designers, contractors, and building code officials will benefit from the information contained in this Measure Guideline. The guide may also be helpful to building owners who wish to learn more about strategies for deep energy enclosure retrofit of flat roofs. This Measure Guideline is important to the high-performance retrofit industry because it demonstrates techniques for retrofitting flat roofs from the exterior, which is less disruptive to the living space and allows the structure to remain occupied during the project. It also illustrates a solution for preparing homes to become zero energy ready.

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