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DOE OSTI2021

Structural Polymorphism of Chitin and Chitosan in Fungal Cell Walls From Solid-State NMR and Principal Component Analysis

Chitin is a major carbohydrate component of the fungal cell wall and a promising target for novel antifungal agents. However, it is technically challenging to characterize the structure of this polymer in native cell walls. Here, we recorded and compared 13 C chemical shifts of chitin using isotopically enriched cells of six Aspergillus, Rhizopus, and Candida strains, with data interpretation assisted by principal component analysis (PCA) and linear discriminant analysis (LDA) methods. The structure of chitin is found to be intrinsically heterogeneous, with peak multiplicity detected in each sample and distinct fingerprints observed across fungal species. Fungal chitin exhibits partial similarity to the model structures of α- and γ-allomorphs; therefore, chitin structure is not significantly affected by interactions with other cell wall components. Addition of antifungal drugs and salts did not significantly perturb the chemical shifts, revealing the structural resistance of chitin to external stress. In addition, the structure of the deacetylated form, chitosan, was found to resemble a relaxed two-fold helix conformation. This study provides high-resolution information on the structure of chitin and chitosan in their cellular contexts. The method is applicable to the analysis of other complex carbohydrates and polymer composites.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Transcriptome Mining Provides Insights into Cell Wall Metabolism and Fiber Lignification in Agave tequilana Weber

Resilience of growing in arid and semiarid regions and a high capacity of accumulating sugar-rich biomass with low lignin percentages have placed Agave species as an emerging bioenergy crop. Although transcriptome sequencing of fiber-producing agave species has been explored, molecular bases that control wall cell biogenesis and metabolism in agave species are still poorly understood. Here, through RNAseq data mining, we reconstructed the cellulose biosynthesis pathway and the phenylpropanoid route producing lignin monomers in A. tequilana, and evaluated their expression patterns in silico and experimentally. Most of the orthologs retrieved showed differential expression levels when they were analyzed in different tissues with contrasting cellulose and lignin accumulation. Phylogenetic and structural motif analyses of putative CESA and CAD proteins allowed to identify those potentially involved with secondary cell wall formation. RT-qPCR assays revealed enhanced expression levels of AtqCAD5 and AtqCESA7 in parenchyma cells associated with extraxylary fibers, suggesting a mechanism of formation of sclerenchyma fibers in Agave similar to that reported for xylem cells in model eudicots. Overall, our results provide a framework for understanding molecular bases underlying cell wall biogenesis in Agave species studying mechanisms involving in leaf fiber development in monocots.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2015

Implicit LES of Turbulent, Separated Flow: Wall-Mounted Hump Configuration

Direct simulations (ILES) of turbulent, separated flow over the wall-mounted hump configuration is conducted to investigate the physics of separated flows. A chord-based Reynolds number of Re(sub c) = 47,500 is set up, with a turbulent in flow of Re(sub theta) = 1,400 (theta/c = 3%). FDL3DI, a code that solves the compressible Navier-Stokes equations using high- order compact-difference scheme and filter, with the standard recycling/rescaling method of turbulence generation, is used. Two different configurations of the upper-wall are analyzed, and results are compared with both a higher Re(sub c) (= 936,000, Re(sub theta) = 7,200, theta/c = 0.77%) experiment for major flow features, and RANS (k-omega SST) results. A lower Rec allows for DNS-like mesh resolution, and an adequately wide span. Both ILES and RANS show delayed reattachment compared to experiment, and significantly higher skin friction in the forebody of the hump, as expected. The upper-wall shape influences the C(sub p) distribution only. Results from this study are being used to setup higher Rec (lower theta/c) ILES.

Implicit LES↗

NASA NTRS2018

Use of the Ames Check Standard Model for the Validation of Wall Interference Corrections

The new check standard model of the NASA Ames 11-ft Transonic Wind Tunnel was chosen for a future validation of the facility's wall interference correction system. The chosen validation approach takes advantage of the fact that test conditions experienced by a large model in the slotted part of the tunnel's test section will change significantly if a subset of the slots is temporarily sealed. Therefore, the model's aerodynamic coefficients have to be recorded, corrected, and compared for two different test section configurations in order to perform the validation. Test section configurations with highly accurate Mach number and dynamic pressure calibrations were selected for the validation. First, the model is tested with all test section slots in open configuration while keeping the model's center of rotation on the tunnel centerline. In the next step, slots on the test section floor are sealed and the model is moved to a new center of rotation that is 33 inches below the tunnel centerline. Then, the original angle of attack sweeps are repeated. Afterwards, wall interference corrections are applied to both test data sets and response surface models of the resulting aerodynamic coefficients in interference-free flow are generated. Finally, the response surface models are used to predict the aerodynamic coefficients for a family of angles of attack while keeping dynamic pressure, Mach number, and Reynolds number constant. The validation is considered successful if the corrected aerodynamic coefficients obtained from the related response surface model pair show good agreement. Residual differences between the corrected coefficient sets will be analyzed as well because they are an indicator of the overall accuracy of the facility's wall interference correction process.

wind tunnel wall interferenc↗

NASA NTRS2015

Direct Simulation of Flow over A Wall-Mounted Hump

Simulating separated flows at high Reynolds numbers using Reynolds Averaged Navier-Stokes (RANS) modeled equations remains a challenge in aeronautics. The main hindrance to progress stems from the lack of extended de- tailed data pertinent to the root cause of failure of RANS models, as well as the little progress in RANS modeling innovations in the past several decades. The goal of the current effort is to generate data for separated flow at a Reynolds numbers where conventional models are challenged. We use Direct Numerical Simulations to model turbulent flow over the wall-mounted hump configuration to investigate the physics of flow separation and boundary layer recovery, as well as provide data relevant to the modeling community. A chord-based Reynolds number of Re(sub c) = 47,500 is considered with a turbulent inflow profile of Re(sub θ) = 1,400 (θ /c = 3%). We use FDL3DI, a code that solves the compressible Navier-Stokes equations using high-order compact-difference scheme and filter, with the standard re- cycling/rescaling method of generating turbulent boundary layers as inflow to the computational domain. Two differ- ent configurations of the upper-wall are analyzed for two sets of boundary conditions (slip and no-slip). The results are compared with the available higher Re(sub c) (= 936,000, Re(sub θ) = 7,200, θ /c = 0.77%) experiment for major flow features. The simulated lower Rec allows for DNS-like mesh resolutions, and adequately wide spans. The results from these simulations show earlier separation and delayed reattachment compared to Re(sub c) = 936,000, and significantly higher skin friction in the forebody of the hump. We also find that the upper-wall shape and boundary condition influence pressure distribution over the hump, whereas skin friction is only influenced by the boundary condition.

Wall-Mounted↗

NASA NTRS2020

Wall Interference Correction System of the NASA Ames 11-ft Transonic Wind Tunnel

The document for review is a chapter for a new AGARD document on wind tunnel wall interference. The chapter describes NASA's current approach to wind tunnel wall interference assessment by using the implementation of the wall interference correction system of the NASA Ames 11-ft Transonic Wind Tunnel as an example.

wind tunnel wall interference↗

DOE OSTI2017

Weld Development of FeCrAl Thin-Wall Cladding for LWR Accident Tolerant Fuel

The development of new cladding materials to replace Zr-based cladding for light water reactors (LWRs) has been actively pursued with improved high-temperature oxidation resistance to significantly suppress hydrogen production from an accident such as a loss of coolant event. FeCrAl alloy with a typical composition of approximately Fe-15Cr-5Al has been selected as a candidate material because of its improved high-temperature oxidation resistance over the present LWR zircaloy cladding. As a result of higher thermal neutron absorption for FeCrAl alloy, the cladding wall thickness needs to be reduced by approximately half compared to that of Zircaloy cladding to be comparable to the current LWR fuel performance under the normal operating condition. New weld techniques for joining the endplug to thin-walled cladding need to be developed. Both laser beam weld and pressure resistance weld were employed. This paper summarizes the recent progress on the laser weld development for FeCrAl cladding with 350 µm wall thickness. The results of microstructural characterization and mechanical property testing of the weld for the cladding-endplug set are discussed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Extended Plate Wall System Expands Adoption of High-R Envelope Solutions

For decades, the residential building industry has worked to expand opportunities to increase the thermal resistance of walls. Multiple high-R wall construction methods have been developed, yet market adoption remains low because of perceived complexity and cost. One appealing solution is an extended plate wall system (EPW). Framing for top and bottom plates is one nominal dimension larger than for studs, which provides space for a 2-inch layer of foam plastic insulative sheathing (FPIS). Wood structural sheathing (OSB or plywood) is then installed on the exterior, fastened directly to the plates and nailed through the foam to the studs. In contrast to the conventional method of installing FPIS as a fully exterior layer, the EPW greatly simplifies air sealing, installation and detailing of windows and doors, an application of a weather resistive barrier, and attachment of cladding.

Building America↗

DOE OSTI2020

Extended Plate Wall System Expands Adoption of High-R Envelope Solution

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2020

Energy Demand Management in Buildings Using PCM-Integrated Wall

The buildings in the United States annually consume nearly 40% of total U.S. energy consumption and approximately 75% of U.S. electricity consumption. Almost half of the total U.S. energy consumption in buildings is attributed to the space conditioning through Heating, Ventilation, and Air Conditioning (HVAC) systems. Utilizing thermal energy storage in buildings, particularly integrating phase change material (PCM) in the walls, has been reported to be an effective method of managing the space heating and cooling loads. This presentation covers an in-depth discussion on the integration of a PCM to building walls, the key conditions required for effective utilization of the PCM, and effect of the PCM transition temperature and the PCM location on energy-saving potential of the PCM-integrated wall.

building↗

DOE OSTI2021

End-to-End Simulations of a 3.4-Meter Detector Wall for Neutron-Diagnosed Subcritical Experiments

The Nevada National Security Site, together with Los Alamos National Laboratory and Lawrence Livermore National Laboratory, is developing a novel diagnostic to measure the reactivity of subcritical experiments. This capability is known as neutron-diagnosed subcritical experiments. The decay of the fission gamma rays from the neutron-interrogated subcritical experiment is measured as a function of time with a large (~3-meter diameter) detector wall consisting of 151 individual detector pixels. The data from this current mode measurement inform the neutron multiplication factor, keff, and thus the relative reactivity of the subcritical experiment. The Nevada National Security Site developed the Gamma Array Simulation Toolkit initially to help inform the design of the individual detector pixels and the 3.4-meter diameter detector wall to be fielded as part of neutron-diagnosed subcritical experiments. This toolkit is now being used to simulate and predict the performance of the final design of the individual detector pixels and the aggregate detector wall. Key detector characteristics evaluated from these simulations include impulse response, pulse height spectrum, number of photoelectrons per MeV, detector efficiency, and cross talk between detector pixels. Collectively, the results of these simulations inform how well the fission gamma ray die-off distribution from a neutron-diagnosed subcritical experiment measurement can be resolved. This is critical to determining the relative reactivity of the experiment. Furthermore, the Gamma Array Simulation Toolkit can be used to aid in the analysis of the experimental data from a neutron-diagnosed subcritical experiment measurement once the simulation has been benchmarked.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

End-to-End Simulations of a 3.4-Meter Detector Wall for Neutron-Diagnosed Subcritical Experiments

The Nevada National Security Site, together with Los Alamos National Laboratory and Lawrence Livermore National Laboratory, is developing a novel diagnostic to measure the reactivity of subcritical experiments. This capability is known as neutron-diagnosed subcritical experiments. The decay of the fission gamma rays from the neutron-interrogated subcritical experiment is measured as a function of time with a large (~3-meter diameter) detector wall consisting of 151 individual detector pixels. The data from this current mode measurement inform the neutron multiplication factor, keff, and thus the relative reactivity of the subcritical experiment. The Nevada National Security Site developed the Gamma Array Simulation Toolkit initially to help inform the design of the individual detector pixels and the 3.4-meter diameter detector wall to be fielded as part of neutron-diagnosed subcritical experiments. This toolkit is now being used to simulate and predict the performance of the final design of the individual detector pixels and the aggregate detector wall. Key detector characteristics evaluated from these simulations include impulse response, pulse height spectrum, number of photoelectrons per MeV, detector efficiency, and cross talk between detector pixels. Collectively, the results of these simulations inform how well the fission gamma ray die-off distribution from a neutron-diagnosed subcritical experiment measurement can be resolved. This is critical to determining the relative reactivity of the experiment. Furthermore, the Gamma Array Simulation Toolkit can be used to aid in the analysis of the experimental data from a neutrondiagnosed subcritical experiment measurement once the simulation has been benchmarked.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

(Towards) DNS of a Laboratory Lean CH4/H2 Low-Swirl Flame Impinging on an Inclined Wall

Due to downsizing trends, flame-wall interaction (FWI) is increasingly prominent in gas turbines (GTs). FWI has direct consequences on flame stabilization and pollutant emissions, but it is not well understood in turbulent flows representative of GTs. We present results from a direct numerical simulation (DNS) of a turbulent CH4/H2 model GT low-swirl laboratory-scale flame interacting with an inclined wall. The results from the laboratory flame include simultaneous measurements of velocity using stereo particle imaging velocimetry and OHxCH2O planar laser induced fluorescence. The adaptive-mesh refinement solver PeleLMeX is used, with 24-species, 105-reaction reduced Aramco chemical kinetics mechanism. The premixed fuel-air mixture consists of hydrogen-enriched methane with 70% hydrogen volume fraction and 0.4 equivalence ratio. The inflow is prescribed to match experimental measurements at the burner exit. Karlovitz and turbulent Reynolds numbers are 300 and 400, respectively. The simulation and experimental results show excellent agreement. The flame features a bowl-shape stabilization, with a corrugated, continuous flame front at the leading edge, followed by fragmented reaction zones downstream. A large diffuse cloud of CH2O is formed downstream of the quenching point. The simulation results indicate that the cloud of CH2O is the result of incomplete methane combustion, with CH2O "leaking" from the locally quenched reaction zones.The DNS provides fine-grain resolution of turbulence-flame-wall interaction that cannot be captured with experimental measurements. With access to the entire solution vector at each cell of the computational domain, the local quenching.

flame-wall interactions↗

DOE OSTI2016

CFD studies coupling hydrodynamics and solid‐liquid mass transfer in slug flow for matter removal from tube walls

Organic matter deposition on internal surfaces constitutes a drawback that impairs the efficiency of several industrial processes. To overcome this problem, sparging a train of bubbles could be useful since its presence strongly increases the wall shear stress. A detailed numerical mass‐transfer study between a finite soluble wall and the liquid around a rising Taylor bubble was performed, simultaneously solving velocity and concentration fields. The bubble passage throws solute backward and is responsible for radial dispersion. There is also an increase in the transfer rate with enhancements between 10 and 20% (depending on liquid average velocity and bubble length) compared to single‐phase flow. Mass‐transfer coefficients along the different hydrodynamic regions around the bubble nose, liquid film, and wake were characterized and their values compared with those from literature. The results suggest a promising potential of bubble train flow to enhance organic matter removal from walls in biological systems. © 2016 American Institute of Chemical Engineers AIChE J , 63: 2420–2439, 2017

Silva, Mónica C. F.↗

DOE OSTI2020

Knocking Out the Wall: Revised Protocols for Gene Targeting in Physcomitrella patens

The moss Physcomitrella patens has become established as a model for investigating plant gene function due to the feasibility of gene targeting. The chemical composition of the P. patens cell wall is similar to that of vascular plants and phylogenetic analyses of glycosyltransferase sequences from the P. patens genome have identified genes that putatively encode cell wall biosynthetic enzymes, providing a basis for investigating the evolution of cell wall polysaccharides and the enzymes that synthesize them. Here, the protocols described in this chapter provide methods for targeted gene knockout in P. patens, from constructing vectors and maintaining cultures to transforming protoplasts and analysing the genotypes and phenotypes of the resulting transformed lines.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Scaled-Up Fabrication of Thin-Walled ZK60 Tubing using Shear Assisted Processing and Extrusion (ShAPE)

Shear Assisted Processing and Extrusion (ShAPE) has been scaled-up and applied to direct extrusion of thin-walled magnesium tubing. Using ShAPE, billets of ZK60A-T5 were directly extruded into round tubes having an outer diameter of 50.8 mm and wall thickness of 1.52 mm. The severe shearing conditions inherent to ShAPE resulted in microstructural refinement with an average grain size of 3.8μm measured at the midpoint of the tube wall. Tensile testing per ATSM E-8 on specimens oriented parallel to the extrusion direction gave an ultimate tensile strength of 254.4 MPa and elongation of 20.1%. Specimens tested perpendicular to the extrusion direction had an ultimate tensile strength of 297.2 MPa and elongation of 25.0%. Due to material flow effects resulting from the simultaneous linear and rotational shear intrinsic to ShAPE, ram force and electrical power consumption during extrusion were just 40 kN and 11.5 kW respectively. This represents a significant reduction in ram force and power consumption compared to conventional extrusion. As such, there is potential for ShAPE to offer a scalable, lower cost extrusion option with potentially improved bulk mechanical properties.

Direct Extrusion↗

DOE OSTI2024

Crescendo beyond the horizon: More gravitational waves from domain walls bounded by inflated cosmic strings

Gravitational-wave (GW) signals offer a unique window into the dynamics of the early universe. GWs may be generated by the topological defects produced in the early universe, which contain information on the symmetry of UV physics. We consider the case in which a two-step phase transition produces a network of domain walls bounded by cosmic strings. Specifically, we focus on the case in which there is a hierarchy in the symmetry-breaking scales, and a period of inflation pushes the cosmic string generated in the first phase transition outside the horizon before the second phase transition. We show that the GW signal from the evolution and collapse of this string-wall network has a unique spectrum, and the resulting signal strength can be sizeable. In particular, depending on the model parameters, the resulting signal can show up in a broad range of frequencies and can be discovered by a multitude of future probes, including the pulsar timing arrays and space- and ground-based GW observatories. As an example that naturally gives rise to this scenario, we present a model with the first phase transition followed by a brief period of thermal inflation driven by the field responsible for the second stage of symmetry breaking. Here, the model can be embedded into a supersymmetric setup, which provides a natural realization of this scenario. In this case, the successful detection of the peak of the GW spectrum probes the soft supersymmetry breaking scale and the wall tension.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

The effect of WAAM process parameters on process conditions and production metrics in the fabrication of single-pass multi-layer wall artifacts

The present work seeks to understand the impact of varying dwell time and input deposition power on part quality and overall production time for wire arc additive manufacturing. In this work, multi-layer wall geometries were deposited under different input power conditions without affecting the material deposition rate by setting traverse speed and wire feed speed constant and varying the contact tip-to-workpiece distance and the deposition power settings. Current and voltage data and optical imaging of the deposition zone were captured in situ, and wall geometry was characterized using laser scanning, so to understand the applicability of these methods for determining part height in situ. Furthermore, the present results demonstrate that alternating dwell times with lower input deposition power can result in significantly reduced overall production time and minimal material underbuilding, despite increased deposition geometry width. Furthermore, it is shown that while elimination of process dwell results in severe underbuilding of the deposition, it also yields the highest production rate for a hybrid-finished (e.g., deposited, machined) wall in terms of mm in build direction per minute and the highest buy-to-fly ratio.

36 MATERIALS SCIENCE↗