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DOE OSTI2017

An Electrospray Ionization Mass Spectrometry Study on the “In Vacuo” Hetero-Oligomers Formed by the Antimicrobial Peptides, Surfactin and Gramicidin S

It was previously observed that the lipopeptide surfactants in surfactin (Srf) have an antagonistic action towards the highly potent antimicrobial cyclodecapeptide, gramicidin S (GS). This study reports on some of the molecular aspects of the antagonism as investigated through complementary electrospray ionization mass spectrometry techniques. We were able to detect stable 1:1 and 2:1 hetero-oligomers in a mixture of surfactin and gramicidin S. The noncovalent interaction between GS and Srf, with the proposed equilibrium: GS~Srf↔GS+Srf correlated to apparent K{sub d} values of 6–9 μM in gas-phase and 1 μM in aqueous solution. The apparent K{sub d} values decreased with a longer incubation time and indicated a slow oligomerization equilibrium. Furthermore, the low μM K{sub d}{sup app} values of GS~Srf↔GS+Srf fell within the biological concentration range and related to the 2- to 3-fold increase in [GS] needed for bacterial growth inhibition in the presence of Srf. Competition studies indicated that neither Na{sup +} nor Ca{sup 2+} had a major effect on the stability of preformed heterodimers and that GS in fact out-competed Ca{sup 2+} and Na{sup +} from Srf. Traveling wave ion mobility mass spectrometry revealed near symmetrical peaks of the heterodimers correlating to a compact dimer conformation that depend on specific interactions. Collision-induced dissociation studies indicated that the peptide interaction is most probably between one Orn residue in GS and the Asp residue, but not the Glu residue in Srf. We propose that flanking hydrophobic residues in both peptides stabilize the antagonistic and inactive peptide hetero-oligomers and shield the specific polar interactions in an aqueous environment. .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Nanometer-scale prebunched electron beams generated from all-optical plasma-based acceleration

High-quality and prebunched electron beams can produce coherent x-rays with high intensity and narrow bandwidth, which are essential for modern light sources. An all-optical scheme based on plasma-based acceleration for producing bright electron beams that are prebunched on the nanometer scale is proposed. By using a density modulation created by two low intensity counterpropagating lasers, the phase velocity of the plasma wake excited by an intense driver laser in a uniform plasma can be modulated at a frequency twice that of the colliding lasers, thus turning the injection on and off. The injected electrons are microbunched at the Doppler-shifted modulated wavelength, corresponding to the phase velocity of the gradually expanding wakefield. It is demonstrated that by controlling the properties of the drive and colliding lasers, beams with exotic prebunched structures can be produced, which may have critical applications in ultrafast high power x-rays. This extremely compact, all-optical scheme for producing ultrabright prebunched electron beams may therefore enable novel applications for ultrafast x-ray users and arouse general interest in various fields.

Beam injection, extraction & transport↗

DOE OSTI2019

Experimental Demonstration of Ferroelectric Spiking Neurons for Unsupervised Clustering

© 2018 IEEE. We report the first experimental demonstration of ferroelectric field-effect transistor (FEFET) based spiking neurons. A unique feature of the ferroelectric (FE) neuron demonstrated herein is the availability of both excitatory and inhibitory input connections in the compact 1T-1FEFET structure, which is also reported for the first time for any neuron implementations. Such dual neuron functionality is a key requirement for bio-mimetic neural networks and represents a breakthrough for implementation of the third generation spiking neural networks (SNNs) - also reported herein for unsupervised learning and clustering on real world data for the first time. The key to our demonstration is the careful design of two important device level features: (1) abrupt hysteretic transitions of the FEFET with no stable states therein, and (2) the dynamic tunability of the FEFET hysteresis by bias conditions which allows for the inhibition functionality. Experimentally calibrated, multi-domain Preisach based FEFET models were used to accurately simulate the FE neurons and project their performance at scaled nodes. We also implement an SNN for unsupervised clustering and benchmark the network performance across analog CMOS and emerging technologies and observe (1) unification of excitatory and inhibitory neural connections, (2) STDP based learning, (3) lowest reported power (3.6nW) during classification, and (4) a classification accuracy of 93%.

Wang, Z↗

DOE OSTI2016

A high speed compact microwave interferometer for density fluctuation measurements in Sino-UNIted Spherical Tokamak

A single-channel 3 mm interferometer has been developed for plasma density diagnostics in the Sino-UNIted Spherical Tokamak (SUNIST). The extremely compact microwave interferometer utilizes one corrugated feed horn antenna for both emitting and receiving the microwave. The beam path lies on the equatorial plane so the system would not suffer from beam path deflection problems due to the symmetry of the cross section. A focusing lens group and an oblique vacuum window are carefully designed to boost the signal to noise ratio, which allows this system to show good performance even with the small-diameter central column itself as a reflector, without a concave mirror. The whole system discards the reference leg for maximum compactness, which is particularly suitable for the small-sized tokamak. An auto-correcting algorithm is developed to calculate the phase evolution, and the result displays good phase stability of the whole system. The intermediate frequency is adjustable and can reach its full potential of 2 MHz for best temporal resolution. Multiple measurements during ohmic discharges proved the interferometer’s capability to track typical density fluctuations in SUNIST, which enables this system to be utilized in the study of MHD activities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Exploring Catalyst Compositions for Microwave-Assisted Methane Dehydroaromatization

The flaring of natural gas in U.S. shale regions remains a challenge for producers. One alternative to flaring is converting the wasted gas into valuable chemicals. Microwave-based processes offer a promising solution, potentially enabling the development of compact, modular systems for on-site production of chemicals, such as aromatics, from natural gas. This is due to the advantages of microwave heating, including efficient heating of compact volumes, accelerated reaction rates, and electrification of heating. However, developing effective catalysts for microwave-based processes is challenging, as conventional materials often require modification to be effectively heated by microwaves. This study provides an overview of a catalyst development project focused on a molybdenum-supported zeolite catalyst, optimized for the direct conversion of methane into aromatics under microwave irradiation. It details the synthesis, characterization, and the effects of promoters, as well as computational efforts undertaken to understand and enhance the catalyst's performance.

flare gas↗

DOE OSTI2018

Disposition Plan for AGR-Related Equipment and Materials

The Advanced Gas Reactor (AGR) program has purchased equipment, chemicals, and acquired uranium feedstocks for the purpose of developing fuel fabrication processes, fabricating fuel for irradiation experiments, and growing domestic expertise. During the process of fuel development and qualification activities, various quantities of unused chemicals, uranium feedstocks, intermediate materials, scrap, and waste have accumulated at BWX Technologies Nuclear Operations Group (BWXT-NOG) and Oak Ridge National Laboratory (ORNL) that must be properly dispositioned. More expensive standalone equipment will be shipped to and repurposed at the Idaho National Laboratory(INL) and ORNL. Less expensive standalone equipment will be either abandoned in place for use by BWXT-NOG or discarded. Embedded equipment, that effects the functionality of BWXT-NOG systems, will be either abandoned in place or dismantled for disposal. Residual chemicals and non-fuel materials used for fuel fabrication and characterization will be repurposed when economically viable or discarded. High-purity uranium oxides, crystals, and metal will be repurposed for fuel fabrication. The majority of the high-enriched uranium will be included in an upcoming Central Scrap Management Office down blending operation. Archival materials will be collected of low-enriched uranium fuel kernels, tristructural isotropic (TRISO) fuel particles, and fuel compact that are residues of AGR fuel fabrication activities. Archival materials will be stored at either INL or ORNL. Some quality, unenriched uranium materials, that may be of interest to other parties investigating TRISO fuels, will also be archived. Uranium materials that are not archived and which cannot be readily repurposed will be discarded.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Sub-millimeter resolution SiPM-based neutron anger camera

Thermal and cold neutron beamlines require detector systems that have a high neutron efficiency, large active area, and good spatial resolution. One type of detector that has been implemented at beamlines at the Spallation Neutron Source (SNS) is a scintillator-based Anger camera that utilizes photomultiplier tubes (PMTs) as photodetectors. In this work, we present a new Anger camera design that replaces PMTs with silicon photomultipliers (SiPMs). This new design offers better resolution, less distortion, and more compactness than the previous cameras. A camera with active area of ~100 cm 2 was shown to have a spatial resolution better than 0.5 mm. Additionally, the use of SiPMs allows for use in strong magnetic fields, opening the possibility of additional experimental capabilities. In conclusion, prototype has been built that demonstrates vacuum-compatibility, as required for a proposed beamline for the Second Target Station at SNS.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Development and flight-testing of modular autonomous cultivation systems for biological plastics upcycling aboard the ISS

Cultivation of microorganisms in space has enormous potential to enable in-situ resource utilization (ISRU) Here, we develop an autonomous payload with fully programmable serial passaging and sample preservation, termed the Modular Open Biological Platform (MOBP), and flight-test the MOBP aboard the International Space Station (ISS) by conducting enzymatic and microbial plastics upcycling experiments. The MOBP is a compact, modular bioreactor system that allows for sustained microbial growth via automated media transfers, such as those for sample collection and storage for terrestrial analyses, and precise data monitoring from integrated sensors. The MOBP was flight-tested with two experiments designed to evaluate biological upcycling of the plastic poly(ethylene terephthalate) (PET). The bioproduct βKA can be polymerized into a nylon-6,6 analog with improved properties for use in the production of a variety of materials. We posit the MOBP will aid in democratizing the execution of synthetic biology in spaceflight towards enabling ISRU.

09 BIOMASS FUELS↗

DOE OSTI2022

PM4Stell: A prototype permanent magnet stellarator structure

Permanent magnets provide a possible solution to simplify complicated stellarator coils. Here, a prototype permanent magnet stellarator structure, PM4Stell, has been funded to demonstrate the technical feasibility of using permanent magnets to create the shaping field of a stellarator. Permanent magnets in uniform cubes with three polarization directions will be carefully placed to generate the required magnetic field for a National Compact Stellarator eXperiment-like equilibrium together with planar toroidal field coils. Discrete magnets will be glued together and inserted into a “post-office-box-like” supporting structure. Electromagnetic and structural analyses have been done to validate the design. Error field correction magnets will be used to shim possible error fields. The design efforts of the prototype permanent magnet stellarator structure are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Design of intrinsically disordered protein variants with diverse structural properties

Intrinsically disordered proteins (IDPs) perform a broad range of functions in biology, suggesting that the ability to design IDPs could help expand the repertoire of proteins with novel functions. Computational design of IDPs with specific conformational properties has, however, been difficult because of their substantial dynamics and structural complexity. We describe a general algorithm for designing IDPs with specific structural properties. We demonstrate the power of the algorithm by generating variants of naturally occurring IDPs that differ in compaction, long-range contacts, and propensity to phase separate. We experimentally tested and validated our designs and analyzed the sequence features that determine conformations. We show how our results are captured by a machine learning model, enabling us to speed up the algorithm. Our work expands the toolbox for computational protein design and will facilitate the design of proteins whose functions exploit the many properties afforded by protein disorder.

Science & Technology - Other Topics↗

NASA NTRS2009

Biomedical Wireless Ambulatory Crew Monitor

A compact, ambulatory biometric data acquisition system has been developed for space and commercial terrestrial use. BioWATCH (Bio medical Wireless and Ambulatory Telemetry for Crew Health) acquires signals from biomedical sensors using acquisition modules attached to a common data and power bus. Several slots allow the user to configure the unit by inserting sensor-specific modules. The data are then sent real-time from the unit over any commercially implemented wireless network including 802.11b/g, WCDMA, 3G. This system has a distributed computing hierarchy and has a common data controller on each sensor module. This allows for the modularity of the device along with the tailored ability to control the cards using a relatively small master processor. The distributed nature of this system affords the modularity, size, and power consumption that betters the current state of the art in medical ambulatory data acquisition. A new company was created to market this technology.

Chmiel, Alan↗

DOE OSTI2025

Multireference diffusion Monte Carlo reaches 2D materials

Abstract Quantum confinement in 2D materials strongly enhances electronic correlation effects. Therefore, predicting the properties of these unique materials, with both a high level of accuracy and computational efficiency, without relying on adjustable parameters or functionals, remains an outstanding theoretical challenge. The majority of theoretical studies are based on the approximations of density functional theory (DFT). The reliability of DFT predictions are heavily dependent on the choice of an approximated exchange-correlation functional. Here, we estimate the magnitude of impact of correlation on the total energy for the quintessential 2D material, graphene, by performing and comparing state-of-the-art selected CI and quantum Monte Carlo extrapolated calculations for a single unit cell at the$$\Gamma$$point. We demonstrate that Self-Healing Diffusion Monte Carlo (SHDMC) obtains a very compact, but high-quality wavefunction for this system that lacks the strong basis set dependence displayed by state of the art quantum chemistry methods. The SHDMC wavefunction is of higher quality compared to that obtained from sCI, in the same orbital basis, while being$$\sim$$ 1000 times smaller in terms of determinant count compared to sCI. We also demonstrate that extrapolating SHDMC results to the infinite determinant limit compares extremely well with complete basis set extrapolated sCI. Our work paves the way for future validation of SHDMC applied to challenging 2D materials.

Science & Technology - Other Topics↗

NASA NTRS1993

Automated fiber placement composite manufacturing: The mission at MSFC's Productivity Enhancement Complex

Automated fiber placement is a manufacturing process used for producing complex composite structures. It is a notable leap to the state-of-the-art in technology for automated composite manufacturing. The fiber placement capability was established at the Marshall Space Flight Center's (MSFC) Productivity Enhancement Complex in 1992 in collaboration with Thiokol Corporation to provide materials and processes research and development, and to fabricate components for many of the Center's Programs. The Fiber Placement System (FPX) was developed as a distinct solution to problems inherent to other automated composite manufacturing systems. This equipment provides unique capabilities to build composite parts in complex 3-D shapes with concave and other asymmetrical configurations. Components with complex geometries and localized reinforcements usually require labor intensive efforts resulting in expensive, less reproducible components; the fiber placement system has the features necessary to overcome these conditions. The mechanical systems of the equipment have the motion characteristics of a filament winder and the fiber lay-up attributes of a tape laying machine, with the additional capabilities of differential tow payout speeds, compaction and cut-restart to selectively place the correct number of fibers where the design dictates. This capability will produce a repeatable process resulting in lower cost and improved quality and reliability.

Vickers, John H.↗

DOE OSTI2026

Oxide-nitride heteroepitaxy for low-loss dielectrics in superconducting quantum circuits

Superconducting qubits show great promise for the realization of fault-tolerant quantum computing, but lossy, amorphous dielectrics limit current technology. Identifying highly crystalline and stoichiometric dielectrics with intrinsically low microwave loss is therefore a central materials challenge, yet experimentally validated platforms remain scarce. In this work, we integrate a crystalline dielectric into a heteroepitaxial TiN/$γ$-Al$_2$O$_3$/TiN trilayer grown via pulsed laser deposition. Correlative high-resolution imaging, diffraction, and spectroscopy measurements confirm the single-crystal quality and chemical integrity of all layers, with minimal defects and limited anion interdiffusion across the oxide-nitride interfaces. Using microwave lumped-element resonators with parallel-plate capacitors, we report the first direct measurement of the dielectric loss of epitaxial $γ$-Al$_2$O$_3$, for which we find a low intrinsic two-level system loss, $δ_{\text{TLS}}^0 = (2.8 \pm 0.1) \times 10^{-5}$. These results establish heteroepitaxial oxides on transition metal nitrides as an attractive materials platform for superconducting quantum circuits, particularly for integration into compact device architectures such as merged-element transmons and microwave kinetic inductance detectors.

Garcia-Wetten, David A. [Northwestern U.]↗

DOE OSTI2020

Lidar-based remote infrared gas sensor for monitoring anthropogenic pollution: a proof of concept

We propose using wavelength-modulation laser absorption spectroscopy in combination with quadrature detection of scattered light for remote industrial pollution monitoring in the atmosphere with a compact lidar-based gas sensor, which can be mounted on board an unmanned aerial vehicle. The instrument can be used for detecting leaks in product pipe lines; monitoring toxic gases near landfill sites, waste incineration plants, and other hazardous man-made facilities; analysing the gas atmosphere in industrial buildings and structures; and monitoring engineering processes at a sensitivity level of tens of ppm m in gas concentration measurements at characteristic distances of tens of metres. (laser applications and other issues in quantum electronics)

42 ENGINEERING↗

DOE OSTI2020

Characterizing crystalline defects in single nanoparticles from angular correlations of single-shot diffracted X-rays

Characterizing and controlling the uniformity of nanoparticles is crucial for their application in science and technology because crystalline defects in the nanoparticles strongly affect their unique properties. Recently, ultra-short and ultra-bright X-ray pulses provided by X-ray free-electron lasers (XFELs) opened up the possibility of structure determination of nanometre-scale matter with Å spatial resolution. However, it is often difficult to reconstruct the 3D structural information from single-shot X-ray diffraction patterns owing to the random orientation of the particles. This report proposes an analysis approach for characterizing defects in nanoparticles using wide-angle X-ray scattering (WAXS) data from free-flying single nanoparticles. The analysis method is based on the concept of correlated X-ray scattering, in which correlations of scattered X-ray are used to recover detailed structural information. WAXS experiments of xenon nanoparticles, or clusters, were conducted at an XFEL facility in Japan by using the SPring-8 Ångstrom compact free-electron laser (SACLA). Bragg spots in the recorded single-shot X-ray diffraction patterns showed clear angular correlations, which offered significant structural information on the nanoparticles. The experimental angular correlations were reproduced by numerical simulation in which kinematical theory of diffraction was combined with geometric calculations. We also explain the diffuse scattering intensity as being due to the stacking faults in the xenon clusters.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2010

Quick Attach Docking Interface for Lunar Electric Rover

The NASA Lunar Electric Rover (LER) has been developed at Johnson Space Center as a next generation mobility platform. Based upon a twelve wheel omni-directional chassis with active suspension the LER introduces a number of novel capabilities for lunar exploration in both manned and unmanned scenarios. Besides being the primary vehicle for astronauts on the lunar surface, LER will perform tasks such as lunar regolith handling (to include dozing, grading, and excavation), equipment transport, and science operations. In an effort to support these additional tasks a team at the Kennedy Space Center has produced a universal attachment interface for LER known as the Quick Attach. The Quick Attach is a compact system that has been retro-fitted to the rear of the LER giving it the ability to dock and undock on the fly with various implements. The Quick Attach utilizes a two stage docking approach; the first is a mechanical mate which aligns and latches a passive set of hooks on an implement with an actuated cam surface on LER. The mechanical stage is tolerant to misalignment between the implement and the LER during docking and once the implement is captured a preload is applied to ensure a positive lock. The second stage is an umbilical connection which consists of a dust resistant enclosure housing a compliant mechanism that is optionally actuated to mate electrical and fluid connections for suitable implements. The Quick Attach system was designed with the largest foreseen input loads considered including excavation operations and large mass utility attachments. The Quick Attach system was demonstrated at the Desert Research And Technology Studies (D-RA TS) field test in Flagstaff, AZ along with the lightweight dozer blade LANCE. The LANCE blade is the first implement to utilize the Quick Attach interface and demonstrated the tolerance, speed, and strength of the system in a lunar analog environment.

Schuler, Jason M.↗

NASA NTRS2013

Hollow-Fiber Spacesuit Water Membrane Evaporator

The hollow-fiber spacesuit water membrane evaporator (HoFi SWME) is being developed to perform the thermal control function for advanced spacesuits and spacecraft to take advantage of recent advances in micropore membrane technology in providing a robust, heat-rejection device that is less sensitive to contamination than is the sublimator. After recent contamination tests, a commercial-off-the-shelf (COTS) micro porous hollow-fiber membrane was selected for prototype development as the most suitable candidate among commercial hollow-fiber evaporator alternatives. An innovative design that grouped the fiber layers into stacks, which were separated by small spaces and packaged into a cylindrical shape, was developed into a full-scale prototype for the spacesuit application. Vacuum chamber testing has been performed to characterize heat rejection as a function of inlet water temperature and water vapor back-pressure, and to show contamination resistance to the constituents expected to be found in potable water produced by the wastewater reclamation distillation processes. Other tests showed tolerance to freezing and suitability to reject heat in a Mars pressure environment. In summary, HoFi SWME is a lightweight, compact evaporator for heat rejection in the spacesuit that is robust, contamination- insensitive, freeze-tolerant, and able to reject the required heat of spacewalks in microgravity, lunar, and Martian environments. The HoFi is packaged to reject 810 W of heat through 800 hours of use in a vacuum environment, and 370 W in a Mars environment. The device also eliminates free gas and dissolved gas from the coolant loop.

Bue, Grant↗