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DOE OSTI2022

Acoustic force spectroscopy reveals subtle differences in cellulose unbinding behavior of carbohydrate-binding modules

Protein adsorption to solid carbohydrate interfaces is critical to many biological processes, particularly in biomass deconstruction. To engineer more-efficient enzymes for biomass deconstruction into sugars, it is necessary to characterize the complex protein–carbohydrate interfacial interactions. A carbohydrate-binding module (CBM) is often associated with microbial surface-tethered cellulosomes or secreted cellulase enzymes to enhance substrate accessibility. However, it is not well known how CBMs recognize, bind, and dissociate from polysaccharides to facilitate efficient cellulolytic activity, due to the lack of mechanistic understanding and a suitable toolkit to study CBM–substrate interactions. Our work outlines a general approach to study the unbinding behavior of CBMs from polysaccharide surfaces using a highly multiplexed single-molecule force spectroscopy assay. Here, we apply acoustic force spectroscopy (AFS) to probe a Clostridium thermocellum cellulosomal scaffoldin protein (CBM3a) and measure its dissociation from nanocellulose surfaces at physiologically relevant, low force loading rates. An automated microfluidic setup and method for uniform deposition of insoluble polysaccharides on the AFS chip surfaces are demonstrated. The rupture forces of wild-type CBM3a, and its Y67A mutant, unbinding from nanocellulose surfaces suggests distinct multimodal CBM binding conformations, with structural mechanisms further explored using molecular dynamics simulations. Applying classical dynamic force spectroscopy theory, the single-molecule unbinding rate at zero force is extrapolated and found to agree with bulk equilibrium unbinding rates estimated independently using quartz crystal microbalance with dissipation monitoring. However, our results also highlight critical limitations of applying classical theory to explain the highly multivalent binding interactions for cellulose–CBM bond rupture forces exceeding 15 pN.

09 BIOMASS FUELS↗

DOE OSTI2022

Temperature and illumination dependence of silicon heterojunction solar cells with a wide range of wafer resistivities

Abstract Recently, the significant improvements in the surface and contact passivation of silicon (Si) solar cells as well as their bulk quality have shifted their operating point to higher injections. Hence, they are less dependent on wafer doping. This shift opens an opportunity of using high‐resistivity wafers for practical photovoltaic applications, introducing a promising approach to push the cell efficiency towards the intrinsic limit and to improve the module reliability by increasing the cell breakdown voltage. Therefore, insights into the performance of Si solar cells using high‐resistivity wafers at various operating temperatures are of significant interest. In this study, we investigate the temperature‐ and illumination‐dependent performance of Si heterojunction (SHJ) solar cells using a wide range of wafer resistivities (between 3 and 1000 Ω⋅cm). Although a reduction in the passivation quality of the passivating contacts is observed at elevated temperature, the impact on the temperature coefficient of the open‐circuit voltage (TC V oc )—the dominant contributor to the temperature coefficient (TC) of the cell efficiency—is very limited. Their TC V oc are still dominated by the temperature dependence of the effective intrinsic carrier concentration. Furthermore, we also find that the investigated cells are more sensitive to temperature variation at lower illumination intensities. It is noteworthy that the efficiency of the cells fabricated using high‐resistivity wafers is comparable to that of the reference cells at any given temperature, highlighting the potential of using high‐resistivity wafers for solar cells.

14 SOLAR ENERGY↗

NASA NTRS1992

The Use of Subcarriers in Future DSN Missions

The performance of deep space telemetry signals that employ a residual carrier modulation technique is compared in the presence and absence of a subcarrier. When the subcarrier is present, the performance for the resulting pulse-coded modulation/phase-shift keyed/phase-modulated (PCM/PSK/PM) scheme is evaluated for both sine wave and square wave subcarriers and non-return-to zero (NRZ) data. When the subcarrier is absent, the performance for the resulting PCM/PM technique is evaluated for both the NRZ and the bi-phase data format. The comparison is based on telemetry performance as well as bandwidth efficiency. The first criterion is characterized in terms of the symbol error rate (SER) as a function of symbol SNR, loop bandwidth-to-data rate ratio, and modulation index. The bandwidth efficiency is characterized by the occupancy factor. The results of both the analysis and measurements show that when the interference-to-carrier ratio (ICR) is less than -15 dB, the performance degradation in the absence of a subcarrier is negligible. Various combinations of loop bandwidth-to-data rate ratios and modulation indices that achieve this performance are derived and listed. Bandwidth occupancy comparison indicates that PCM/PM/NRZ is the most efficient in this regard. Therefore, by eliminating the subcarrier and using the PCM/PM/NRZ scheme, many advantages can be realized without any sacrifice in performance.

Shihabi, M. M.↗

NASA NTRS1994

A Comparison of Telemetry Signals in the Presence and Absence of a Subcarrier

The performance of deep-space telemetry signals that employ a residual carrier modulation technique is compared in the presence and absence of a subcarrier. When the subcarrier is present, the performance for the resulting pulse-coded modulation/phase-shift keyed/phase-modulated (PCM/PSK/PM) scheme is evaluated for both sine-wave and square-wave subcarriers and Non-Return-to Zero (NRZ) data. When the subcarrier is absent, the performance for the resulting PCM/PM technique is evaluated for both the NRZ and the bi-phase data format. The comparison is based on telemetry performance as well as bandwidth efficiency. The first criterion is characterized in terms of the Symbol Error Rate (SER) as a function of symbol SNR, loop bandwidth-to-data rate ratio, and modulation index. The bandwidth efficiency is characterized by the occupancy factor. The results of both the analysis and measurements show that when the Interference-to-Carrier Ratio (ICR) is less than -20 dB, the performance degradation in the absence of a subcarrier is negligible. Various combinations of loop bandwidth-to-data rate ratios and modulation indices that achieve this performance are derived and listed. Bandwidth occupancy comparison indicates that PCM/PM/NRZ is the most efficient in this regard. Therefore, by eliminating the subcarrier and using the PCM/PM/NRZ scheme, many advantages can be realized without any sacrifice in performance.

Shihabi, Mazen M.↗

NASA NTRS1978

The application of photovoltaic roof shingles to residential and commercial buildings

The recent development of a shingle-type solar-cell module makes it possible to incorporate easily photovoltaic power generation into the sloping roofs of residential or commercial buildings. These modules, which use a closely packed array of nineteen 53-mm-diameter circular solar cells, are capable of producing 101 watts/sq m of module area under standard operating conditions. This module performance is achievable by the use of solar cells with an average efficiency of 13.3 percent at 1 kW/sq m air-mass-1.5 insolation and at a cell temperature of 28 C. When these modules are mounted on a sloping south-facing roof which is insulated on the rear surface, the annual energy generated at the maximum power operating point will vary from 255.6 to 137.3 kWh/sq m of module area depending on the site location, with Albuquerque, NM, and Seattle, WA, representing the highest and lowest values of the thirteen sites considered.

Shepard, N. F., Jr.↗

NASA NTRS1987

Ultralight amorphous silicon alloy photovoltaic modules for space applications

Ultralight and ultrathin, flexible, rollup monolithic PV modules have been developed consisting of multijunction, amorphous silicon alloys for either terrestrial or aerospace applications. The rate of progress in increasing conversion efficiency of stable multijunction and multigap PV cells indicates that arrays of these modules can be available for NASA's high power systems in the 1990's. Because of the extremely light module weight and the highly automated process of manufacture, the monolithic a-Si alloy arrays are expected to be strongly competitive with other systems for use in NASA's space station or in other large aerospace applications.

Hanak, J. J.↗

NASA NTRS1991

Multi-stage decoding for multi-level block modulation codes

Various types of multistage decoding for multilevel block modulation codes, in which the decoding of a component code at each stage can be either soft decision or hard decision, maximum likelihood or bounded distance are discussed. Error performance for codes is analyzed for a memoryless additive channel based on various types of multi-stage decoding, and upper bounds on the probability of an incorrect decoding are derived. It was found that, if component codes of a multi-level modulation code and types of decoding at various stages are chosen properly, high spectral efficiency and large coding gain can be achieved with reduced decoding complexity. It was found that the difference in performance between the suboptimum multi-stage soft decision maximum likelihood decoding of a modulation code and the single stage optimum decoding of the overall code is very small, only a fraction of dB loss in SNR at the probability of an incorrect decoding for a block of 10(exp -6). Multi-stage decoding of multi-level modulation codes really offers a way to achieve the best of three worlds, bandwidth efficiency, coding gain, and decoding complexity.

Lin, Shu↗

DOE OSTI2020

Resonance-Promoted Formic Acid Oxidation via Dynamic Electrocatalytic Modulation

It is a truth universally acknowledged that faster catalysts enable more efficient transformation of molecules to useful products and enhance the utilization of natural resources. However, the limit of static catalyst performance defined by the Sabatier principle has motivated a dynamic approach to catalyst design, whereby catalysts oscillate between varying energetic states. In this work, the concept of dynamic catalytic resonance was experimentally demonstrated via the electrocatalytic oxidation of formic acid over Pt. Oscillation of the electrodynamic potential between 0 and 0.8 V NHE via a square waveform at varying frequency (10 –3 < f < 10 3 Hz) increased the turnover frequency to ~20 s –1 at 100 Hz, over one order of magnitude (20×) faster than optimal potentiostatic conditions. We attribute the accelerated dynamic catalysis to nonfaradaic formic acid dehydration to surface-bound carbon monoxide at low potentials, followed by surface oxidation and desorption to carbon dioxide at high potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

PluginPlay: Enabling exascale scientific software one module at a time

For many computational chemistry packages, being able to efficiently and effectively scale across an exascale cluster is a heroic feat. Collective experience from the Department of Energy’s Exascale Computing Project suggests that achieving exascale performance requires far more planning, design, and optimization than scaling to petascale. In many cases, entire rewrites of software are necessary to address fundamental algorithmic bottlenecks. This in turn requires a tremendous amount of resources and development time, resources that cannot reasonably be afforded by every computational science project. It thus becomes imperative that computational science transition to a more sustainable paradigm. Key to such a paradigm is modular software. While the importance of modular software is widely recognized, what is perhaps not so widely appreciated is the effort still required to leverage modular software in a sustainable manner. The present manuscript introduces PluginPlay, https://github.com/NWChemEx-Project/PluginPlay, an inversion-of-control framework designed to facilitate developing, maintaining, and sustaining modular scientific software packages. Here this manuscript focuses on the design aspects of PluginPlay and how they specifically influence the performance of the resulting package. Although, PluginPlay serves as the framework for the NWChemEx package, PluginPlay is not tied to NWChemEx or even computational chemistry. We thus anticipate PluginPlay to prove to be a generally useful tool for a number of computational science packages looking to transition to the exascale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2004

InGaAs/InP Monolithic Interconnected Modules (MIM) for Thermophotovoltaic Applications

There has been a traditional trade-off in thermophotovoltaic (TPV) energy conversion development between systems efficiency and power density. This trade-off originates from the use of front surface spectral controls such as selective emitters and various types of filters. A monolithic interconnected module (MIM) structure has been developed which allows for both high power densities and high system efficiencies. The MIM device consists of many individual indium gallium arsenide (InGaAs) devices series -connected on a single semi-insulating indium phosphide (InP) substrate. The MIMs are exposed to the entire emitter output, thereby maximizing output power density. An infrared (IR) reflector placed on the rear surface of the substrate returns the unused portion of the emitter output spectrum back to the emitter for recycling, thereby providing for high system efficiencies. Initial MIM development has focused on a 1 sq cm device consisting of eight series interconnected cells. MIM devices, produced from 0,74 eV InGAAs, have demonstrated V(sub infinity) = 3.23 volts, J(sub sc) = 70 mA/sq cm and a fill factor of 66% under flashlamp testing. Infrared (IR) reflectance measurement (less than 2 microns) of these devices indicate a reflectivity of less than 82%. MIM devices produced from 0.55 eV InGaAs have also been den=monstrated. In addition, conventional p/n InGaAs devices with record efficiencies (11.7% AM1) have been demonstrated.

Wilt, David M.↗

NASA NTRS1991

Multi-stage decoding for multi-level block modulation codes

In this paper, we investigate various types of multi-stage decoding for multi-level block modulation codes, in which the decoding of a component code at each stage can be either soft-decision or hard-decision, maximum likelihood or bounded-distance. Error performance of codes is analyzed for a memoryless additive channel based on various types of multi-stage decoding, and upper bounds on the probability of an incorrect decoding are derived. Based on our study and computation results, we find that, if component codes of a multi-level modulation code and types of decoding at various stages are chosen properly, high spectral efficiency and large coding gain can be achieved with reduced decoding complexity. In particular, we find that the difference in performance between the suboptimum multi-stage soft-decision maximum likelihood decoding of a modulation code and the single-stage optimum decoding of the overall code is very small: only a fraction of dB loss in SNR at the probability of an incorrect decoding for a block of 10(exp -6). Multi-stage decoding of multi-level modulation codes really offers a way to achieve the best of three worlds, bandwidth efficiency, coding gain, and decoding complexity.

Lin, Shu↗

NASA NTRS2012

An MSK Radar Waveform

The minimum-shift-keying (MSK) radar waveform is formed by periodically extending a waveform that separately modulates the in-phase and quadrature- phase components of the carrier with offset pulse-shaped pseudo noise (PN) sequences. To generate this waveform, a pair of periodic PN sequences is each passed through a pulse-shaping filter with a half sinusoid impulse response. These shaped PN waveforms are then offset by half a chip time and are separately modulated on the in-phase and quadrature phase components of an RF carrier. This new radar waveform allows an increase in radar resolution without the need for additional spectrum. In addition, it provides self-interference suppression and configurable peak sidelobes. Compared strictly on the basis of the expressions for delay resolution, main-lobe bandwidth, effective Doppler bandwidth, and peak ambiguity sidelobe, it appears that bi-phase coded (BPC) outperforms the new MSK waveform. However, a radar waveform must meet certain constraints imposed by the transmission and reception of the modulation, as well as criteria dictated by the observation. In particular, the phase discontinuity of the BPC waveform presents a significant impediment to the achievement of finer resolutions in radar measurements a limitation that is overcome by using the continuous phase MSK waveform. The phase continuity, and the lower fractional out-of-band power of MSK, increases the allowable bandwidth compared with BPC, resulting in a factor of two increase in the range resolution of the radar. The MSK waveform also has been demonstrated to have an ambiguity sidelobe structure very similar to BPC, where the sidelobe levels can be decreased by increasing the length of the m-sequence used in its generation. This ability to set the peak sidelobe level is advantageous as it allows the system to be configured to a variety of targets, including those with a larger dynamic range. Other conventionally used waveforms that possess an even greater spectral efficiency than the MSK waveform, such as linear frequency modulation (LFM) and Costas frequency hopping, have a fixed peak sidelobe level that is therefore not configurable, and can be exceeded by high contrast targets. Furthermore, in the case of a multistatic experiment observing a target in motion, self-interference from the transmitter to the receiver is mitigated by the MSK waveform. Waveforms that have delay Doppler coupling, such as LFM, provide no such protection.

Quirk, Kevin J.↗

DOE OSTI2024

Integration and validation of some modules for modelling of high-speed chemically reactive flows in two-phase gas-droplet mixtures

Three modules are integrated into the built-in OpenFOAM rhoCentralFoam solver towards accurate and efficient modelling of high-speed chemically reactive flows in two-phase gas-droplet mixtures within the OpenFOAM 10.0 framework. The first module is the mixture-averaged diffusion model. The second module is the built-in OpenFOAM Lagrangian solver coupled with optimised droplet drag coefficient and convective heat transfer coefficient sub-models. The last module is a sparse stiff chemistry solver based on dynamic adaptive hybrid integration (AHI-S). The optimised droplet sub-models are first verified in correct implementation for subsequent simulations in this work. Further, they show good accuracy against experimental and analytical data in the modelling of ammonia droplet acceleration and cooling in the flowing and/or low-temperature air. The accuracy and efficiency gains related to the mixture-averaged diffusion model and the AHI-S chemistry solver are examined by simulating 1-D detonation propagation in ammonia droplet-free/laden ammoniaoxygen mixtures. Numerical results of detonation propagation speed, gaseous temperature, density, and species distributions around the induction zone show good agreement with experimental data and analytical solutions. Compared to the built-in OpenFOAM diffusion model, the mixture-averaged diffusion model provides different numerical predictions of pulsating instabilities in detonation propagation. It shows better accuracy in depicting the detonation structure within the droplet-free section attributed to improved multi-component diffusion modelling. Compared to the built-in OpenFOAM solver EulerImplicit (backward Euler), the AHI-S chemistry solver reduces the computational cost by around 50%. It achieves satisfactory accuracy in calculating detonation propagation speed within the droplet-free section with the optimal efficiency when the safety factor, β, equals 0.5.

42 ENGINEERING↗

NASA NTRS1963

Apollo 2 Second Generation Lunar Exploration System Studies CFY 1963

The Apollo II Second Generation Lunar Exploration System includes the direct landing spacecraft which consists of cargo command module, service module, and landing module. The landing module is also capable of being used as the Lunar Landing Vehicle (LLV) for landing unmanned cargos consisting of shelter modules such as the Lunar Occupancy Payload and other cargo in support of lunar surface operations. High energy cryogenic propellants are utilized to permit direct landing, manned, or logistic missions with use of a single Saturn V class booster. In last year's studies, the LLV was configured for maximum payload and with consideration for the direct three-man landing and return mission. Light weight and low vehicle height above the lunar surface at touchdown were major objectives. Logistic cargos of more than 27,000 pounds landed on the Moon were achieved within the single Saturn V boost capability. For the manned mission, the lunar take-off weight was determined to be 28,000 pounds ready for the return-to-Earth portion of the mission. The command module utilized was an advanced light-weight design weighing 10,000 pounds including supporting subsystems. Cryogenic oxygen/hydrogen propulsion was again used for maximum propulsion efficiency. Study of the Lunar Occupancy Payload was also accomplished last year. This module was configured to serve as an early lunar shelter or outpost station or as a basic module of an integrated base module complex. Single and dual compartment versions, as well as special mission versions, were studied.

Matzenaur, J. O.↗

DOE OSTI2023

Fe-N 4 O-C Nanoplates Covalently Bonding on Graphene for Efficient CO 2 Electroreduction and Zn-CO 2 Batteries

Electrochemical carbon dioxide (CO 2 ) reduction into value-added products holds great promise in moving toward carbon neutrality but remains a grand challenge due to lack of efficient electrocatalysts. Herein, the nucleophilic substitution reaction is elaborately harnessed to synthesize carbon nanoplates with a Fe-N 4 O configuration anchored onto graphene substrate (Fe-N 4 O-C/Gr) through covalent linkages. Density functional theory calculations demonstrate the unique configuration of Fe-N 4 O with one oxygen (O) atom in the axial direction not only suppresses the competing hydrogen evolution reaction, but also facilitates the desorption of *CO intermediate compared with the commonly planar single-atomic Fe sites. The Fe-N 4 O-C/Gr shows excellent performance in the electroreduction of CO 2 into carbon monoxide (CO) with an impressive Faradaic efficiency of 98.3% at -0.7 V versus reversible hydrogen electrode (RHE) and a high turnover frequency of 3511 h -1 . Furthermore, as a cathode catalyst in an aqueous zinc (Zn)-CO 2 battery, the Fe-N 4 O-C/Gr achieves a high CO Faradaic efficiency (≈91%) at a discharge current density of 3 mA cm -2 and long-term stability over 74 h. Here this work opens up a new route to simultaneously modulate the geometric and electronic structure of single-atomic catalysts toward efficient CO 2 conversion.

25 ENERGY STORAGE↗

NASA NTRS2017

Filter Efficiency and Pressure Testing of Returned ISS Bacterial Filter Elements (BFEs)

The air quality control equipment aboard the International Space Station (ISS) and future deep space exploration vehicles provide the vital function of maintaining a clean cabin environment for the crew and the hardware. This becomes a serious challenge in pressurized space compartments since no outside air ventilation is possible, and a larger particulate load is imposed on the filtration system due to lack of sedimentation. The ISS Environmental Control and Life Support (ECLS) system architecture in the U.S. Segment uses a distributed particulate filtration approach consisting of traditional High-Efficiency Particulate Air (HEPA) filters deployed at multiple locations in each U.S. Seg-ment module; these filters are referred to as Bacterial Filter Elements, or BFEs. In our previous work, we presented results of efficiency and pressure drop measurements for a sample set of two returned BFEs with a service life of 2.5 years. In this follow-on work, we present similar efficiency, pressure drop, and leak tests results for a larger sample set of six returned BFEs. The results of this work can aid the ISS Program in managing BFE logistics inventory through the stations planned lifetime as well as provide insight for managing filter element logistics for future exploration missions. These results also can provide meaningful guidance for particulate filter designs under consideration for future deep space exploration missions.

ISS Air Quality↗

NASA NTRS2017

International Space Station (ISS) Bacterial Filter Elements (BFEs): Filter Efficiency and Pressure Drop Testing of Returned Units

ISS Air Quality↗

DOE OSTI2022

Multi-modular capacitive wireless power transfer circuit and related techniques

A high performance kilowatt-scale large air-gap multi-modular capacitive wireless power transfer (WPT) system is provided for electric vehicle (EV) charging. In one particular implementation, the multi-modular system achieves high power transfer while maintaining fringing electric fields within prescribed safety limits. The fringing fields are reduced using near-field phased-array field-focusing techniques, wherein the adjacent modules of the multi-modular system are out-phased with respect to one another. The inter-module interactions in this multi-modular system can be modeled, and an approach to eliminate these interactions in a practical EV charging environment is provided. To illustrate one example implementation, a prototype 1.2-kW 6.78-MHz 12-cm air-gap multi-modular capacitive WPT system comprising two 600-W modules is provided. This prototype system achieves 21.2 kW/m2 power transfer density and a peak efficiency of 89.8%. This multi-modular system also achieves a fringing field reduction of 50% compared to its individual modules.

Afridi, Khurram K.↗