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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Optimizing PCM-integrated walls for potential energy savings in U.S. Buildings

Buildings in the United States account for nearly half of total U.S. energy use. The energy used for space conditioning can be reduced by utilizing thermal energy storage, such as phase change materials (PCMs), into building envelopes; however, the energy savings of PCM-integrated building envelopes reported in the literature vary widely. In the absence of established guidelines, thermophysical requirements of an optimal PCM, its method of application into the building envelope, and the corresponding energy savings under various climates remain unknown. Here, we perform an extensive numerical investigation on the integration of PCM into building walls to establish the key conditions required for effective utilization of PCM in reducing heat gains in the cooling season and heat losses in the heating season. We also determine the optimal transition temperature, optimal PCM location in the wall, and the energy-saving potential of the PCM-integrated building walls in five U.S. cities located in different International Energy Conservation Code climate zones. Results show that employing PCMs in building walls does not always lead to an improvement; in fact, incorrect applications of PCMs can substantially increase energy use in the buildings. In the climates we studied, PCMs were found effective in reducing heat gains during the cooling season while mostly ineffective in managing heat losses during heating season. Depending on the climate, optimized PCMs in U.S. building walls can provide reduction in the annual heat gain in the range of 3.5% to 47.2% and the annual heat loss in the range of -2.8% to 8.3%. Future consideration of buildings with substantial solar gains in winter may lead to more reduction in heat losses by PCMs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Performance evaluation of a dynamic wall integrated with active insulation and thermal energy storage systems

Thermal energy storage systems in buildings can store cooling/heating energy during non-peak load hours or when renewable energy sources are available for later use when demanded. Using the building envelope as a thermal battery can help to shave the peak load, reduce the burden in electric grids, and enhance the occupant's thermal comfort. Sensible energy storage on wall systems such as thermally activated building systems can provide an active thermal storage strategy. However, most of the stored energy is used through passive means directed by the thermal lag, which can impede the on-demand release of the stored energy. Integrating active insulation systems with building thermal storage systems can increase the flexibility of charging and discharging time and duration. In this study, a wall system equipped with an active insulation system and thermally activated storage system was designed, and its performance on active cooling energy contribution was studied. The performances of energy storage (charging), release (discharging) of the thermal energy storage energy, and the active insulation system were studied separately and together as an integrated system. Results showed that the thermal properties of the thermal energy storage core material and the pipe spacing of both embedded pipes in the thermal energy storage and hydronic pipes used in the active insulation system affected the wall performance the most out of all the tested wall system parameters. During discharging, the heat flux into the wall was as high as 81.92 W/m 2 . This active insulation system's dynamic R-value varied between less than 1ft 2 •°F•h/BTU (0.18 m 2 •K/W) to 98% of the equally thick foam insulation's R-value.

25 ENERGY STORAGE↗
DOE OSTI2020

Damping and mode shape modification for additively manufactured walls with captured powder

Here, this paper describes the fabrication, modeling, and dynamic testing of laser powder bed fusion stainless steel walls with captured powder cores. The purpose of the study is to determine the increased structural damping, or energy dissipation, and mode shape modification caused by the inclusion of the unmelted powder core within the solid walls. It is shown experimentally that the damping increases with larger powder core width and that the damping addition is mode dependent. Damping increases over the solid wall values by factors of 2.9–225 are reported depending on the mode number and core width. It is also seen that the mode shapes are distorted relative to the solid wall results as the core width is increased and wall thickness is decreased. Comparisons with finite element models confirm this trend.

42 ENGINEERING↗
DOE OSTI2023

Near-wall model for compressible turbulent boundary layers based on an inverse velocity transformation

In this work, a near-wall model, which couples the inverse of a recently developed compressible velocity transformation (Griffin et al., Proc. Natl Acad. Sci., vol. 118, 2021, p. 34) and an algebraic temperature–velocity relation, is developed for high-speed turbulent boundary layers. As input, the model requires the mean flow state at one wall-normal height in the inner layer of the boundary layer and at the boundary-layer edge. As output, the model can predict mean temperature and velocity profiles across the entire inner layer, as well as the wall shear stress and heat flux. The model is tested in an a priori sense using a wide database of direct numerical simulation high-Mach-number turbulent channel flows, pipe flows and boundary layers (48 cases, with edge Mach numbers in the range 0.77–11, and semi-local friction Reynolds numbers in the range 170–5700). The present model is significantly more accurate than the classical ordinary differential equation (ODE) model for all cases tested. The model is deployed as a wall model for large-eddy simulations in channel flows with bulk Mach numbers in the range 0.7–4 and friction Reynolds numbers in the range 320–1800. When compared to the classical framework, in the a posteriori sense, the present method greatly improves the predicted heat flux, wall stress, and temperature and velocity profiles, especially in cases with strong heat transfer. In addition, the present model solves one ODE instead of two, and has a computational cost and implementation complexity similar to that of the commonly used ODE model.

42 ENGINEERING↗
DOE OSTI2026

Zwitterion Moieties in Polypeptides Synergistically Enhance the Release of Cellulose and Amorphous Polysaccharides from Plant Cell Walls

This study demonstrated that covalently localized zwitterionic moieties in zwitterionic polypeptides (ZIPs) effectively disrupt hydrogen bonds in cellulosic substrates, including filter paper and plant cell wall materials, without significant cytotoxicity. ZIPs with varying densities of zwitterionic side chains were synthesized via the postpolymerization modification of histidinecontaining oligopeptides. The newly developed ZIPs predominantly comprised repeating units with zwitterionically converted side chains. Such ZIPs can cleave multiple hydrogen bonds by anchoring the zwitterionic structure at specific sites, thereby partially dissociating the polysaccharide chains in the cell wall. They are especially effective in dissolving amorphous cellulose, even at low concentrations in aqueous solutions. Importantly, this effect was achieved with minimal cellular toxicity, harnessing the advantages of ionic liquid-like properties while mitigating their high-toxicity limitations. This biofriendly approach to cell wall denaturation highlights a novel method for controlling hydrogen bond networks in polysaccharides and cell walls. These findings indicate a new approach for reducing biomass recalcitrance and developing next-generation biobased materials and fuels derived from plant cell walls.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Direct Determination of Hydroxymethyl Conformations of Plant Cell Wall Cellulose Using 1 H Polarization Transfer Solid-State NMR

In contrast to the well-studied crystalline cellulose of microbial and animal origins, cellulose in plant cell walls is disordered due to its interactions with matrix polysaccharides. Plant cell wall (PCW) is an undisputed source of sustainable global energy; therefore, it is important to determine the molecular structure of PCW cellulose. The most reactive component of cellulose is the exocyclic hydroxymethyl group: when it adopts the tg conformation, it stabilizes intrachain and interchain hydrogen bonding, while gt and gg conformations destabilize the hydrogen-bonding network. So far, information about the hydroxymethyl conformation in cellulose has been exclusively obtained from 13 C chemical shifts of monosaccharides and oligosaccharides, which do not reflect the environment of cellulose in plant cell walls. Here, we use solid-state Nuclear Magnetic Resonance (ssNMR) spectroscopy to measure the hydroxymethyl torsion angle of cellulose in two model plants, by detecting distance-dependent polarization transfer between H4 and H6 protons in 2D 13 C– 13 C correlation spectra. We show that the interior crystalline portion of cellulose microfibrils in Brachypodium and Arabidopsis cell walls exhibits H4–H6 polarization transfer curves that are indicative of a tg conformation, whereas surface cellulose chains exhibit slower H4–H6 polarization transfer that is best fit to the gt conformation. Joint constraints by the H4–H6 polarization transfer curves and 13 C chemical shifts indicate that it is unlikely for interior cellulose to have a significant population of the gt and gg conformation mixed with the tg conformation, while surface cellulose may adopt a small percentage of the gg conformation. These results provide new constraints to the structure and matrix interactions of cellulose in plant cell walls, and represent the first direct determination of a torsion angle in an important noncrystalline carbohydrate polymer.

09 BIOMASS FUELS↗
DOE OSTI2025

Lignin Removal in Subcellular Location of Poplar Cell Wall During Pretreatment Significantly Impacts Cellulose Digestibility

The γ-valerolactone (GVL) pretreatment is one of the leading solvent-based methods for producing high-quality lignin under mild conditions. However, the glucan conversion yield from GVL pretreated biomass remains unsatisfactory. To explore the discrepancies between the relatively low glucan conversion and high lignin extraction, we conducted GVL−HCl and NaOH pretreatments on poplar and investigated their effects on lignin content and location, as well as on enzymatic hydrolysis of poplar cell walls at the subcellular level. Under designated pretreatment conditions of GVL−HCl (90% GVL, 0.1 M HCl, 100 °C, 1 h) and NaOH (1 M, 121 °C, 2 h), the glucan conversion yields were 69.4% and 95.8%, with lignin removal rates of 67.8% and 47.7%, respectively. Four types of GFP-labeled carbohydrate binding modules were used to identify different forms of cellulose in the pretreated cell walls. The overall binding intensities to pretreated poplar were stronger for NaOH compared to GVL−HCl pretreatment. Stimulated Raman scattering microscopy imaging revealed that GVL−HCl preferentially extracted lignin from the compound middle lamella and cell corner areas, while NaOH effectively dissolved lignin in the secondary cell walls. Real-time imaging of cellulase degradation of pretreated cell walls further indicated that digestion started from both the cell lumen and the compound middle lamella areas for GVL, whereas it occurred uniformly across the secondary cell walls for NaOH. Our findings suggest that the location of lignin removal during pretreatment is crucial for enzymatic cellulose degradation, in addition to the total amount of lignin extraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Field enhancement of electronic conductance at ferroelectric domain walls

Ferroelectric domain walls have continued to attract widespread attention due to both the novelty of the phenomena observed and the ability to reliably pattern them in nanoscale dimensions. But, the conductivity mechanisms remain in debate, particularly around nominally uncharged walls. Here, we posit a conduction mechanism relying on field-modification effect from polarization re-orientation and the structure of the reverse-domain nucleus. Through conductive atomic force microscopy measurements on an ultra-thin (001) BiFeO 3 thin film, in combination with phase-field simulations, we show that the field-induced twisted domain nucleus formed at domain walls results in local-field enhancement around the region of the atomic force microscope tip. In conjunction with slight barrier lowering, these two effects are sufficient to explain the observed emission current distribution. Our results suggest that different electronic properties at domain walls are not necessary to observe localized enhancement in domain wall currents.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Molecular architecture of fungal cell walls revealed by solid-state NMR

The high mortality of invasive fungal infections, and the limited number and inefficacy of antifungals necessitate the development of new agents with novel mechanisms and targets. The fungal cell wall is a promising target as it contains polysaccharides absent in humans, however, its molecular structure remains elusive. Here we report the architecture of the cell walls in the pathogenic fungus Aspergillus fumigatus. Solid-state NMR spectroscopy, assisted by dynamic nuclear polarization and glycosyl linkage analysis, reveals that chitin and α-1,3-glucan build a hydrophobic scaffold that is surrounded by a hydrated matrix of diversely linked β-glucans and capped by a dynamic layer of glycoproteins and α-1,3-glucan. The two-domain distribution of α-1,3-glucans signifies the dual functions of this molecule: contributing to cell wall rigidity and fungal virulence. This study provides a high-resolution model of fungal cell walls and serves as the basis for assessing drug response to promote the development of wall-targeted antifungals.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

The emergence of three-dimensional chiral domain walls in polar vortices

Abstract Chirality or handedness of a material can be used as an order parameter to uncover the emergent electronic properties for quantum information science. Conventionally, chirality is found in naturally occurring biomolecules and magnetic materials. Chirality can be engineered in a topological polar vortex ferroelectric/dielectric system via atomic-scale symmetry-breaking operations. We use four-dimensional scanning transmission electron microscopy (4D-STEM) to map out the topology-driven three-dimensional domain walls, where the handedness of two neighbor topological domains change or remain the same. The nature of the domain walls is governed by the interplay of the local perpendicular (lateral) and parallel (axial) polarization with respect to the tubular vortex structures. Unique symmetry-breaking operations and the finite nature of domain walls result in a triple point formation at the junction of chiral and achiral domain walls. The unconventional nature of the domain walls with triple point pairs may result in unique electrostatic and magnetic properties potentially useful for quantum sensing applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Molecular-level architecture of Chlamydomonas reinhardtii’s glycoprotein-rich cell wall

Abstract Microalgae are a renewable and promising biomass for large-scale biofuel, food and nutrient production. However, their efficient exploitation depends on our knowledge of the cell wall composition and organization as it can limit access to high-value molecules. Here we provide an atomic-level model of the non-crystalline and water-insoluble glycoprotein-rich cell wall of Chlamydomonas reinhardtii . Using in situ solid-state and sensitivity-enhanced nuclear magnetic resonance, we reveal unprecedented details on the protein and carbohydrate composition and their nanoscale heterogeneity, as well as the presence of spatially segregated protein- and glycan-rich regions with different dynamics and hydration levels. We show that mannose-rich lower-molecular-weight proteins likely contribute to the cell wall cohesion by binding to high-molecular weight protein components, and that water provides plasticity to the cell-wall architecture. The structural insight exemplifies strategies used by nature to form cell walls devoid of cellulose or other glycan polymers.

09 BIOMASS FUELS↗
DOE OSTI2024

Adaptative Survival of Aspergillus fumigatus to Echinocandins Arises from Cell Wall Remodeling Beyond β-1,3-glucan Synthesis Inhibition

Antifungal echinocandins inhibit the biosynthesis of β-1,3-glucan, a major and essential polysaccharide component of the fungal cell wall. However, the efficacy of echinocandins against the pathogen Aspergillus fumigatus is limited. Here, we use solid-state nuclear magnetic resonance (ssNMR) and other techniques to show that echinocandins induce dynamic changes in the assembly of mobile and rigid polymers within the A. fumigatus cell wall. The reduction of β-1,3- glucan induced by echinocandins is accompanied by a concurrent increase in levels of chitin, chitosan and highly polymorphic α-1,3-glucans, whose physical association with chitin maintains cell wall integrity and modulates water permeability. The rearrangement of the macromolecular network is dynamic and controls the permeability and circulation of the drug throughout the cell wall. Thus, our results indicate that echinocandin treatment triggers compensatory rearrangements in the cell wall that may help A. fumigatus to tolerate the drugs’ antifungal effects.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Chiral transport along magnetic domain walls in the quantum anomalous Hall effect

The recent prediction, and subsequent discovery, of the quantum anomalous Hall (QAH) effect in thin films of the three-dimensional ferromagnetic topological insulator (MTI) (Cr$_y$Bi$_x$Sb$_{1-x-y}$)$_2$Te$_3$ has opened new possibilities for chiral-edge-state-based devices in zero external magnetic field. Like the $\nu=1$ quantum Hall system, the QAH system is predicted to have a single chiral edge mode circulating along the boundary of the film. Backscattering of the chiral edge mode should be suppressed, as recently verified by the observation of well-quantized Hall resistivities $\rho_{yx} = \pm h/e^2$, along with longitudinal resistivities as low as a few ohms. Dissipationless 1D conduction is also expected along magnetic domain walls. Here, we intentionally create a magnetic domain wall in a MTI and study electrical transport along the domain wall. We present the first observation of chiral transport along domain walls, in agreement with theoretical predictions. We present further evidence that two modes equilibrate and co-propagate along the length of the domain wall.

36 MATERIALS SCIENCE↗
DOE OSTI2019

OsCAldOMT1 is a bifunctional O-methyltransferase involved in the biosynthesis of tricin-lignins in rice cell walls

Abstract Lignin is a phenylpropanoid polymer produced in the secondary cell walls of vascular plants. Although most eudicot and gymnosperm species generate lignins solely via polymerization of p -hydroxycinnamyl alcohols (monolignols), grasses additionally use a flavone, tricin, as a natural lignin monomer to generate tricin-incorporated lignin polymers in cell walls. We previously found that disruption of a rice 5-HYDROXYCONIFERALDEHYDE O -METHYLTRANSFERASE ( OsCAldOMT1 ) reduced extractable tricin-type metabolites in rice vegetative tissues. This same enzyme has also been implicated in the biosynthesis of sinapyl alcohol, a monolignol that constitutes syringyl lignin polymer units. Here, we further demonstrate through in-depth cell wall structural analyses that OsCAldOMT1 -deficient rice plants produce altered lignins largely depleted in both syringyl and tricin units. We also show that recombinant OsCAldOMT1 displayed comparable substrate specificities towards both 5-hydroxyconiferaldehyde and selgin intermediates in the monolignol and tricin biosynthetic pathways, respectively. These data establish OsCAldOMT1 as a bifunctional O -methyltransferase predominantly involved in the two parallel metabolic pathways both dedicated to the biosynthesis of tricin-lignins in rice cell walls. Given that cell wall digestibility was greatly enhanced in the OsCAldOMT1 -deficient rice plants, genetic manipulation of CAldOMT s conserved in grasses may serve as a potent strategy to improve biorefinery applications of grass biomass.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Identifying transcription factors that reduce wood recalcitrance and improve enzymatic degradation of xylem cell wall in Populus

Developing an efficient deconstruction step of woody biomass for biorefinery has been drawing considerable attention since its xylem cell walls display highly recalcitrance nature. Here, we explored transcriptional factors (TFs) that reduce wood recalcitrance and improve saccharification efficiency in Populus species. First, 33 TF genes up-regulated during poplar wood formation were selected as potential regulators of xylem cell wall structure. The transgenic hybrid aspens (Populus tremula × Populus tremuloides) overexpressing each selected TF gene were screened for in vitro enzymatic saccharification. Of these, four transgenic seedlings overexpressing previously uncharacterized TF genes increased total glucan hydrolysis on average compared to control. The best performing lines overexpressing Pt × tERF123 and Pt × tZHD14 were further grown to form mature xylem in the greenhouse. Notably, the xylem cell walls exhibited significantly increased total xylan hydrolysis as well as initial hydrolysis rates of glucan. The increased saccharification of Pt × tERF123-overexpressing lines could reflect the improved balance of cell wall components, i.e., high cellulose and low xylan and lignin content, which could be caused by upregulation of cellulose synthase genes upon the expression of Pt × tERF123. Overall, we successfully identified Pt × tERF123 and Pt × tZHD14 as effective targets for reducing cell wall recalcitrance and improving the enzymatic degradation of woody plant biomass.

09 BIOMASS FUELS↗
DOE OSTI2015

Inertia-driven particle migration and mixing in a wall-bounded laminar suspension flow

Laminar pressure-driven suspension flows are studied in the situation of neutrally buoyant particles at finite Reynolds number. The numerical method is validated for homogeneous particle distribution (no lateral migration across the channel): the increase of particle slip velocities and particle stress with inertia and concentration is in agreement with former works in the literature. In the case of a two-phase channel flow with freely moving particles, migration towards the channel walls due to the Segré-Silberberg effect is observed, leading to the development of a non-uniform concentration profile in the wall-normal direction (the concentration peaks in the wall region and tends towards zero in the channel core). The particle accumulation in the region of highest shear favors the shear-induced particle interactions and agitation, the profile of which appears to be correlated to the concentration profile. A 1D model predicting particle agitation, based on the kinetic theory of granular flows in the quenched state regime when Stokes number St = O(1) and from numerical simulations when St < 1, fails to reproduce the agitation profile in the wall normal direction. Instead, the existence of secondary flows is clearly evidenced by long time simulations. These are composed of a succession of contra-rotating structures, correlated with the development of concentration waves in the transverse direction. The mechanism proposed to explain the onset of this transverse instability is based on the development of a lift force induced by spanwise gradient of the axial velocity fluctuations. The establishment of the concentration profile in the wall-normal direction therefore results from the combination of the mean flow Segré-Silberberg induced migration, which tends to stratify the suspension and secondary flows which tend to mix the particles over the channel cross section.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Detection of ferromagnetic domain wall pinning and depinning with a semiconductor device

We demonstrate the detection of a ferromagnetic domain wall using a nanoscale Hall cross. A narrow permalloy wire is defined lithographically on top of a Hall cross fabricated from an InAs quantum well. The width of the Hall cross (500 nm–1 μm) is similar to the width of the ferromagnetic wire (200–500 nm), and a geometric pinning site is fabricated in the ferromagnetic wire to trap a domain wall within the area of the Hall cross. The devices provide a signal that is often the same order of magnitude as the offset Hall voltage when a domain wall is located above the Hall cross, and may be useful for memory applications. Different geometries for the Hall cross and ferromagnetic wire are tested, and radiofrequency pulses are sent into the wire to demonstrate current driven domain wall motion. Further changes to the Hall bar geometry with respect to the wire geometry are investigated by numerical computation. A large gain in signal is seen for Hall bars only slightly wider than the ferromagnetic wires as compared to those twice as wide, as well as a larger sensitivity to the exact position of the domain wall with respect to the center of the Hall cross.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Characteristics of domain wall chirality and propagation in a Y-junction nanowire

Chirality-dependent propagation of transverse wall along a nanowire was investigated using a Y-junction with spin-valve structure. It was found that the Y-junction can be used for convenient and effective electric detection of transverse domain wall chirality, especially in a nanowire with sub-200 nm width, where it is difficult to electrically detect chirality using conventional artificial defect, such as a notch, due to small resistance change. Domain wall propagation path in the Y-junction was found to be determined by the wall chirality, whether clockwise or counterclockwise. Using the Y-junction nanowire, characteristics of domain wall chirality that was nucleated in a nucleation pad, attached at the end of a nanowire, were studied and found to be in good agreement with the results of theoretical simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗