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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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Electric Drive Technologies Consortium (EDTC)/ Cost competitive, high-Performance, highly Reliable (CPR) Power Devices on 4H-SiC (Final Report)

4H-Silicon carbide (4H-SiC) is a wide bandgap semiconductor that offers superior material properties over silicon, including higher critical electric field, thermal conductivity, and electron saturation velocity. These advantages make 4H-SiC highly attractive for high-voltage, high-efficiency power electronics. However, realizing the full potential of SiC requires device technologies that are not only high-performing but also manufacturable and reliable under real-world operating conditions. This report summarizes the outcomes of a five-year R&D effort funded by the U.S. Department of Energy (DOE) under the Electric Drive Technologies Consortium (EDTC), focused on developing cost-competitive, high-performance, and highly reliable (CPR) power devices on 4H-SiC substrates. The program targeted scalable and manufacturable 1.2 kV-class SiC MOSFETs optimized for next-generation electric vehicles, renewable energy systems, and industrial power conversion. The project delivered transformative advancements in SiC power device performance and ruggedness. Particularly, Specific on-resistance (R on,sp ) was reduced by up to 37%, from ~4.0 m$\Omega \cdot$cm 2 in earlier designs to an industry-leading 2.40 m$\Omega \cdot$cm 2 , driven by optimized doping, refined JFET widths, and layout engineering. Breakdown voltages (BV) exceeded 1600 V, marking improvement over legacy baselines, and demonstrating the robustness of newly implemented junction profiles and edge terminations. Short-circuit withstand time (SCWT) saw a remarkable 4$\times$ increase, from ~2 $\mu$s to over 8 $\mu$s, achieved through the successful deployment of deep P-well structures (~1.8–2.0 $\mu$m) via channeling implantation. This innovative process breakthrough enabled precise junction formation without MeV-class implantation tools, reduced leakage under high field stress, and allowed even the shortest-channel devices (down to 0.3 $\mu$m) to achieve both high BV and excellent ruggedness—breaking the traditional trade-off between conduction efficiency and blocking capability. Several novel architectures pushed the performance envelope further. JBSFETs—featuring embedded Schottky portions—eliminated bipolar degradation and drastically reduced third-quadrant leakage, while Ladder MOSFETs introduced a clever orthogonal conduction path that achieved a 15.4% reduction in R on,sp over standard linear designs. Switching performance reached new benchmarks: short-channel devices showed a 31% reduction in total switching energy compared to 0.5 $\mu$m counterparts, while maintaining manageable gate drive requirements. Layout-optimized structures not only improved transconductance but also accelerated switching transitions, pointing to real-world benefits in converter-level efficiency. The devices also passed rigorous reliability validation. Stress-tested across TDDB, HTGB, HTRB, HVP, and burn-in, the devices screened under 30 V/10 hr and 43 V/1 s protocols consistently exhibited tighter lifetime distributions and long-term oxide robustness. These screening techniques proved effective in identifying latent defects and ensuring deployment-grade reliability. Meanwhile, advanced 3D TCAD simulations revealed and resolved electric field hotspots—particularly in HEXFET corners—where fields exceeding 4.8 MV/cm were mitigated through geometry-aware layout corrections. Overall, the results of this project demonstrate a manufacturable and scalable SiC power device platform that addresses key DOE performance targets for efficient, robust, and reliable 1.2kV 4H-SiC Power Devices. The developed technologies represent a meaningful step forward in the commercial readiness of high-voltage SiC solutions and provide a strong foundation for continued advancement in wide bandgap power electronics.

42 ENGINEERING↗

A heat flux sensor leveraging the transverse Seebeck effect in elemental antimony

Certain configurations of anisotropic single crystal materials can generate a thermoelectric voltage orthogonal to an induced temperature gradient. This phenomenon is known as the Transverse Seebeck Effect (TSE) and can be leveraged to fabricate simple and robust heat flux sensors. Only a small number of materials have been considered as TSE-based transducers and, among these, few have been developed into sensors with ruggedization against chemical and mechanical degradation. Here, we report on the fabrication and characterization of a rugged TSE-based heat flux sensor using prismatic antimony single crystals. The heat flux sensor was tested under static and dynamic heating scenarios. The sensor has a linear responsivity of 16.8 µV/(W/cm2) to heat fluxes spanning more than two orders of magnitude and a time constant of 4.4 s. The sensor’s response to localized heating, probed with a laser scanning technique, validated that the transduction mechanism is primarily the TSE by ruling out a sizable contribution from the conventional Seebeck effect. Finite element analysis corroborated that components used in the sensor package are the primary determinants of the time constant and the decrement of the responsivity from its theoretical maximum. Design principles that may be applied to elicit a faster transient response or higher responsivity are proposed. Furthermore, the results establish single crystal antimony as a promising transducer material for heat flux measurement systems and demonstrate potential effects of ruggedization on sensor performance.

36 MATERIALS SCIENCE↗

SD-WAN Evaluation Criteria for a Defense Information Systems Network Expeditionary Customer Edge

The Defense Information Systems Agency (DISA) has identified a service provision gap midway between the capacity and capability of a Defense Information Systems Network (DISN) transport Edge Points of Presence (POP) and U.S. Department of Defense (DoD) Enterprise Classified Travel Kit (DECTK). Some deployed force 100-user Tactical Operations Centers are in field locations far removed from the DISN transport core, in challenging environmental conditions with limitations on space, weight, power, and cooling for network equipment. As part of a multi-phase project, Pacific Northwest National Laboratory (PNNL) will gather and analyze requirements, design, develop, prototype, and test a miniaturized and ruggedized DISN Customer Edge POP scaled to support approximately 100 users in a field Tactical Operations Center. An Expeditionary Customer Edge (ECE) will be more suitable for field deployment than a DISN transport Edge POP, using ruggedized hardware and network function virtualization (NFV) to operate in challenging field environmental conditions, plus reduce weight, power, and cooling requirements. A key enabling technology for ECE is Software Defined Wide Area Networking (SD-WAN). This document provides: • A brief overview of SD-WAN use cases and how they apply to ECE • How SD-WAN technology compares to existing networks like DISN that use Optical Transport Networking (OTN) and Multiprotocol Label Switching (MPLS) • SD-WAN functional requirements relevant to ECE • A description of an ECE Virtual Prototype, including simulated wide area network paths and a DISN-representative implementation of MPLS, in Cisco Modeling Labs • Detailed network flow walkthroughs • Evaluation criteria based on ECE-relevant SD-WAN functional requirements Finally, an appendix provides an informal evaluation of Speedify—a commercial retail Virtual Private Network service—against the ECE SD-WAN evaluation criteria.

42 ENGINEERING↗

Cloud Droplet Measurement System for the ARM Tethered Balloon System (TBS) Field Campaign Report

The Mesa Photonics' cloud droplet measurement system (CDMS) performs in situ measurement of droplet size distribution and droplet number density in clouds. These characteristics are important cloud microphysical properties that are critical input parameters for atmospheric models and are also useful for proper calibration and validation of performance of other atmospheric measurement instrumentation. This small campaign was the first project (out of two) that involved integration of the CDMS into the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility’s tethered balloon system (TBS) and its initial testing at the ARM Southern Great Plains (SGP) atmospheric observatory. The follow-up campaign (AFC07016) involved testing of the CDMS under relevant conditions at the third ARM Mobile Facility (AMF3) at Oliktok Point, Alaska and making in situ measurements in clouds. The goal of this small field campaign was to deploy the CDMS on the ARM TBS, demonstrate its integrity and compatibility with the TBS, and test the wireless telecommunication system in preparation for subsequent in-cloud measurements at ARM’s North Slope of Alaska (NSA) observatory at Utqiagvik (formerly Barrow). The specific technical objectives included: (1) Integration of the Mesa Photonics' CDMS into the ARM TBS, (2) testing of the wireless telecommunication system of the CDMS, (3) evaluating the data acquisition software and image processing algorithms especially under high-background-illumination conditions, and (4) testing the ruggedness of the instrument's optical alignment and other performance characteristics. All objectives have been successfully met. The mounting hardware was designed and built mostly at Sandia National Laboratories (SNL), which allowed reliable mounting of the CDMS on the TBS and co-locating the CDMS with other instruments. The field tests were performed by the principal investigator (PI) in collaboration with the TBS operational crew led by D. Dexheimer. The field testing demonstrated good compatibility of the CDMS with the TBS. During the TBS flights, the crew did not experience any operational issues with the CDMS. The instrument demonstrated reliable operational characteristics, including sufficient battery life and good thermal management. The wireless telecommunication system has been successfully tested at TBS flight altitudes of up to 1000 m. During all flights, the CDMS raw data were wirelessly transmitted to the ground station and processed in real time. The ruggedness of the instrument's optical alignment was evaluated by performing calibration of the CDMS (using Mesa Photonics' fixed-size monodisperse droplet generator) before and after the campaign. The calibration was stable within the instrument's measurement precision. In summary, the campaign demonstrated good compatibility of the Mesa Photonics' CDMS with the ARM TBS. The flight tests confirmed the mechanical integrity of the CDMS and stability of its optical layout, as well as reliability of the wireless telecommunication system. Successful completion of this campaign provided a solid basis for the next campaign (AFC07016, November 2020), that involved testing of the CDMS during in-cloud TBS flights at AMF3 at Oliktok Point.

54 ENVIRONMENTAL SCIENCES↗

The design and development of a miniature bi-stable latching solenoid valve for low thrust resistojets

The design approach and development demonstration are presented for a flightweight, miniature, magnetic latching shutoff valve, suitable for use with the ruggedized H2 and NH3 resistojet and the biowaste resistojet. The design criteria established provided for compatibility with specified ruggedized resistojet propellants as well as the biowaste and other propulsion system propellants.

Lynch, R. A.↗

Altus small button cell performance

Results of testing performed on Altus lithium thionyl chloride cells are presented. The test plan followed simulates the mine environment. It involves nondestructive testing, ruggedness testing and destructive testing. The nondestructive testing involves open circuit voltage measurements initially on all the cells, alternating current resistance measurements initially on all the cells and closed circuit voltage pulses, 20s on and 20s through 1000, 100, 10 and 1 ohms at temperatures of -54 to 71 C. The ruggedness testing involves low frequency vibration, high frequency vibration, and two-phase water entry shock at temperatures of -54, 25 and 71 C. It also involves thermal shock tests.

Freeman, C.↗

Mesoscale roughness of Venus

The global distribution of multi-kilometer (approx. 9 km) length scale 'roughness' (hereafter mesoscale roughness or MR) on Venus can be estimated from the Magellan global altimetry dataset (GxDR) and then compared with MR data derived for Earth from 5' ETOP5 data and for Mars (from USGS Mars DTM dataset). The mesoscale roughness parameter (MR) represents the RMS variance in meters of the actual planetary surface topography relative to the best fitting tangent plane defined on the basis of a 3x3 pixel sliding window. The best-fit plane was computed using a least-squares solution which minimizes delta H, the sum of the squares of the differences between the 9 local elevation values (H(sub i)), and the elevation of best-fit plane at the same grid location. Using the best-fit plane and delta H, we have computed the RMS 'roughness' var(delta R), where this parameter is always minimized on the basis of its calculation using least squares. We have called this 'ruggedness' parameter the Mesoscale Roughness (MR) because it is directly related to the high-frequency variance of topography after mesoscale slopes and tilts (i.e., for Venus, the baseline over which MR is computed (dx) is approx. 8.8 km and dx for Earth is approx. 9.3 km) are removed. As such, MR represents the degree to which a planetary surface is more rugged than approximately 10 km scale facets or tilts. It should not be confused with the radar 'RMS Roughness' parameter computed at 0.1 to 10 m length scales on the basis of the Magellan radar altimeter echo. We will use our MR parameter to investigate the global ruggedness properties of Venus as they relate to geological provinces and in comparison with the spatial pattern of MR for Earth and Mars.

Garvin, J. B.↗

TT and C - First TDRSS, Then Commercial GEO and Big LEO and Now through LEO

The advent of low earth orbit (LEO) commercial communications satellites provides an opportunity to dramatically reduce Telemetry Tracking and Control (TT&C) costs of launch vehicles and Unpiloted Aerial Vehicles (UAVs) by reducing or eliminating ground infrastructure. Personnel from the Goddard Space Flight Center Wallops Flight Facility (GSFC/WFF) in Virginia have successfully used commercial GEO & Big LEO communications satellites for Long Duration Balloon flight TT&C. In addition, TDRSS capability for these balloons has been developed by WFF for the Ultra Long Duration Balloons with the first test flight launch in January 2001 for one global circumnavigation at 120,000 feet altitude launched from Alice Springs. Australia. Numerous other low cost applications can new utilize the commercial LEO satellites for TT&C. The Flight Modern became a GSFC/WFF Advanced Range Technology Initiative (ARTI) in an effort to streamline TT&C capability to the user community at low cost. Phase I ground tests of The Flight Modem verified downlink communications quality of service and measured transmission latencies. These tests were completed last year, Phase II consisting of aircraft flight tests provide much of the data presented in this paper. Phase III of the Flight Modern baseline test program is a demonstration of the ruggedized version of the WFF Flight Modem flown on one sounding rocket launched from Sweden. Flights of opportunity have been and are being actively pursued with other centers, ranges and users at universities. The WFF goal is to reduce TT&C costs by providing a low cost COTS Flight Modem with a User Handbook containing system capability and limitation descriptions. Additionally, since data transmission is by packetized Internet Protocol (IP), data can be received and commands initialed from practically any location with no infrastructure. The WFF, like most ranges, has been using GPS receivers on sounding rockets and long duration balloons for several years, The WFF Flight Modem contains a GPS receiver to provide vehicle position for tracking and vehicle recovery. The system architecture which integrates antennas, GPS receiver, commercial satellite packet data modem. and a single board computer with custom software is described and a number of technical challenges are discussed along with the plan for their resolution. These include antenna development, high Doppler rates, reliability, environmental ruggedness, hand over between satellites and data security. An aggressive test plan is included which in addition to environmental Testing measures bit error rate latency and antenna patterns. Additional flight tests are planned far the near future on aircraft, long duration balloons and sounding rockets and these results as well as the current status of the project arc reported. Use of the WFF Flight Modem on small satellites is also being pursued. The LEO satellite constellation altitude above 1400 km is not an obstacle because most spacecraft do not require continuous Communications. The challenge is scheduling where store and forward techniques for command are required and downlink when the communications link allows connection (above 60 percent of the time depending on the satellite altitude). Sophisticated scheduling techniques utilizing 2-line orbital element sets available on the NASA/NORAD Internet site could be implemented for rare special cases. The current 9600 baud rate of the LEO communications link may be increased With special techniques that are planned for development in the WFF Flight Modem project.

Morgan, Dwayne↗

Multi-Wavelength, Multi-Beam, and Polarization-Sensitive Laser Transmitter for Surface Mapping

A multi-beam, multi-color, polarized laser transmitter has been developed for mapping applications. It uses commercial off-the-shelf components for a lowcost approach for a ruggedized laser suitable for field deployment. The laser transmitter design is capable of delivering dual wavelengths, multiple beams on each wavelength with equal (or variable) intensities per beam, and a welldefined state of polarization. This laser transmitter has been flown on several airborne campaigns for the Slope Imaging Multi-Polarization Photon Counting Lidar (SIMPL) instrument, and at the time of this reporting is at a technology readiness level of between 5 and 6. The laser is a 1,064-nm microchip high-repetition-rate laser emitting energy of about 8 microjoules per pulse. The beam was frequency-doubled to 532 nm using a KTP (KTiOPO4) nonlinear crystal [other nonlinear crystals such as LBO (LiB3O5) or periodically poled lithium niobiate can be used as well, depending on the conversion efficiency requirements], and the conversion efficiency was approximately 30 percent. The KTP was under temperature control using a thermoelectric cooler and a feedback monitoring thermistor. The dual-wavelength beams were then spectrally separated and each color went through its own optical path, which consisted of a beam-shaping lens, quarterwave plate (QWP), and a birefringent crystal (in this case, a calcite crystal, but others such as vanadate can be used). The QWP and calcite crystal set was used to convert the laser beams from a linearly polarized state to circularly polarized light, which when injected into a calcite crystal, will spatially separate the circularly polarized light into the two linear polarized components. The spatial separation of the two linearly polarized components is determined by the length of the crystal. A second set of QWP and calcite then further separated the two beams into four. Additional sets of QWP and calcite can be used to further split the beams into multiple orders of two. The spatially separated beams had alternating linearly polarization states; a half-wave plate (HWP) array was then made to rotate the alternating states of A multi-beam, multi-color, polarized laser transmitter has been developed for mapping applications. It uses commercial off-the-shelf components for a lowcost approach for a ruggedized laser suitable for field deployment. The laser transmitter design is capable of delivering dual wavelengths, multiple beams on each wavelength with equal (or variable) intensities per beam, and a welldefined state of polarization. This laser transmitter has been flown on several airborne campaigns for the Slope Imaging Multi-Polarization Photon Counting Lidar (SIMPL) instrument, and at the time of this reporting is at a technology readiness level of between 5 and 6. The laser is a 1,064-nm microchip high-repetition-rate laser emitting energy of about 8 microjoules per pulse. The beam was frequency-doubled to 532 nm using a KTP (KTiOPO4) nonlinear crystal [other nonlinear crystals such as LBO (LiB3O5) or periodically poled lithium niobiate can be used as well, depending on the conversion efficiency requirements], and the conversion efficiency was approximately 30 percent. The KTP was under temperature control using a thermoelectric cooler and a feedback monitoring thermistor. The dual-wavelength beams were then spectrally separated and each color went through its own optical path, which consisted of a beam-shaping lens, quarterwave plate (QWP), and a birefringent crystal (in this case, a calcite crystal, but others such as vanadate can be used). The QWP and calcite crystal set was used to convert the laser beams from a linearly polarized state to circularly polarized light, which when injected into a calcite crystal, will spatially separate the circularly polarized light into the two linear polarized components. The spatial separation of the two linearly polarized components is determined by the length of the crystal. A cond set of QWP and calcite then further separated the two beams into four. Additional sets of QWP and calcite can be used to further split the beams into multiple orders of two. The spatially separated beams had alternating linearly polarization states; a half-wave plate (HWP) array was then made to rotate the alternating states of

Yu, Anthony W.↗

Low-Cost, Rugged High-Vacuum System

A need exists for miniaturized, rugged, low-cost high-vacuum systems. Recent advances in sensor technology have led to the development of very small mass spectrometer detectors as well as other analytical instruments such as scanning electron microscopes. However, the vacuum systems to support these sensors remain large, heavy, and power-hungry. To meet this need, a miniaturized vacuum system was developed based on a very small, rugged, and inexpensive-to-manufacture molecular drag pump (MDP). The MDP is enabled by a miniature, very-high-speed (200,000 rpm), rugged, low-power, brushless DC motor optimized for wide temperature operation and long life. The key advantages of the pump are reduced cost and improved ruggedness compared to other mechanical hig-hvacuum pumps. The machining of the rotor and stators is very simple compared to that necessary to fabricate rotor and stator blades for other pump designs. Also, the symmetry of the rotor is such that dynamic balancing of the rotor will likely not be necessary. Finally, the number of parts in the unit is cut by nearly a factor of three over competing designs. The new pump forms the heart of a complete vacuum system optimized to support analytical instruments in terrestrial applications and on spacecraft and planetary landers. The MDP achieves high vacuum coupled to a ruggedized diaphragm rough pump. Instead of the relatively complicated rotor and stator blades used in turbomolecular pumps, the rotor in the MDP consists of a simple, smooth cylinder of aluminum. This will turn at approximately 200,000 rpm inside an outer stator housing. The pump stator comprises a cylindrical aluminum housing with one or more specially designed grooves that serve as flow channels. To minimize the length of the pump, the gas is forced down the flow channels of the outer stator to the base of the pump. The gas is then turned and pulled toward the top through a second set of channels cut into an inner stator housing that surrounds the motor. The compressed gas then flows down channels in the motor housing to the exhaust port of the pump. The exhaust port of the pump is connected to a commercially available diaphragm or scroll pump.

Sorensen, Paul↗

Very-Low-Cost, Rugged Vacuum System

NASA, DoD, DHS, and commercial industry have a need for miniaturized, rugged, low-cost vacuum systems. Recent advances in sensor technology have led to the development of very small mass spectrometer detectors as well as other miniature analytical instruments. However, the vacuum systems to support these sensors remain large, heavy, and power-hungry. To meet this need, a miniaturized vacuum system was created based on a very small, rugged, and inexpensive- to-manufacture molecular drag pump (MDP). The MDP is enabled by the development of a miniature, veryhigh- speed, rugged, low-power, brushless DC motor optimized for wide temperature operation and long life. Such a pump represents an order-of-magnitude reduction in mass, volume, and cost over current, commercially available, state-ofthe- art vacuum pumps. The vacuum system consists of the MDP coupled to a ruggedized rough pump (for terrestrial applications or for planets with substantial atmospheres). The rotor in the MDP consists of a simple smooth cylinder of aluminum spinning at approximately 200,000 RPM inside an outer stator housing. The pump stator comprises a cylindrical aluminum housing with one or more specially designed grooves that serve as flow channels. To minimize the length of the pump, the gas is forced down the flow channels of the outer stator to the base of the pump. The gas is then turned and pulled toward the top through a second set of channels cut into an inner stator housing that surrounds the motor. The compressed gas then flows down channels in the motor housing to the exhaust port of the pump. The exhaust port of the pump is connected to a diaphragm or scroll pump. This pump delivers very high performance in a very small envelope. The design was simplified so that a smaller compression ratio, easier manufacturing process, and enhanced ruggedness can be achieved at the lowest possible cost. The machining of the rotor and stators is very simple compared to that necessary to fabricate TMP (turbo molecular pump) rotor and stator blades. Also, the symmetry of the rotor is such that dynamic balancing of the rotor is greatly simplified. Finally, because of the simplified design, the number of parts in the unit is cut by nearly a factor of three. In fact, there are only five parts, not counting the motor and off-the-shelf screws and O-rings. This reduces the amount of machining and also makes fit-up much simpler while allowing the maintenance of close tolerances.

Kline-Schoder, Robert↗

True Breakdown Voltage and Overvoltage Margin of GaN Power HEMTs in Hard Switching

This work studies the dynamic breakdown voltage (BV) and overvoltage margin of a 650-V-rated commercial GaN power HEMT in hard switching. The dynamic BV measured in the hard switching circuits is over 1.4 kV, being 450 V higher than the static BV measured in the quasi-static I-V sweep. The device can survive at least 1 million hard-switching overvoltage pulses with 1.33 kV peak overvoltage (~95% dynamic BV). Recoverable device parametric shifts are observed after the 1-million pulses, featuring small reductions in threshold voltage and on-resistance. These shifts are different from the ones after the hard-switching pulses without overvoltage and are attributable to the trapping of the holes produced in impact ionization. Furthermore, these results suggest that the BV and overvoltage margin of GaN HEMTs in practical power switching can be significantly underestimated using the static BV. Index Terms— GaN, HEMT, power electronics, hard switching, breakdown voltage, overvoltage, ruggedness, reliability.

42 ENGINEERING↗

Non-traditional stable isotope measurements using laser desorption Orbitrap mass spectrometry: Implications for planetary missions.

Isotopic fractionation recorded in planetary materials provides insights into physical, chemical, and/or potential biological processes occurring on Solar System bodies. As we enter into the next decades of planetary exploration, the crucial information revealed by isotopic compositions of rocky and icy samples mandates that next generation spaceflight instrumentation possess the capability to measure isotope ratios in situ with sufficient precision/accuracy to distinguish between such processes. Here, in addition to identifying and fingerprinting complex organic materials with high accuracy and ultrahigh mass resolutions, laser desorption Orbitrap™ mass spectrometry (LD-O-MS) has the capability to determine the elemental and isotopic composition of solid planetary materials such as rock, regolith, organics, ice, etc. Here, we use a space-qualified LD-O-MS instrument comprising a 266 nm ultraviolet (UV) laser and Orbitrap mass analyzer ruggedized for planetary applications to investigate the stable isotopic composition of Ti and Zn metal plates. Based on the isotopic analyses, we constrain the performance of the CORALS instrument to sub per mille (‰) level accuracy and precision for Ti and at the per mille (‰) level for Zn. An LD-O-MS instrument is a versatile instrument capable of measuring isotopic composition of a variety of planetary samples and would constitute a critical instrument in the exploration of various planetary bodies including but not limited to Moon, Mars, Enceladus and other ocean or icy worlds, Ceres and other asteroids, and comets, thereby answering several high-priority questions pertaining to the formation and evolution of our Solar System.

58 GEOSCIENCES↗

A Deep Learning-Driven Sampling Technique to Explore the Phase Space of an RNA Stem-Loop

The folding and unfolding of RNA stem-loops are critical biological processes; however, their computational studies are often hampered by the ruggedness of their folding landscape, necessitating long simulation times at the atomistic scale. Here, we adapted DeepDriveMD (DDMD), an advanced deep learning-driven sampling technique originally developed for protein folding, to address the challenges of RNA stem-loop folding. Although tempering- and order parameter-based techniques are commonly used for similar rare-event problems, the computational costs or the need for a priori knowledge about the system often present a challenge in their effective use. DDMD overcomes these challenges by adaptively learning from an ensemble of running MD simulations using generic contact maps as the raw input. DeepDriveMD enables on-the-fly learning of a low-dimensional latent representation and guides the simulation toward the undersampled regions while optimizing the resources to explore the relevant parts of the phase space. We showed that DDMD estimates the free energy landscape of the RNA stem-loop reasonably well at room temperature. Our simulation framework runs at a constant temperature without external biasing potential, hence preserving the information on transition rates, with a computational cost much lower than that of the simulations performed with external biasing potentials. Here, we also introduced a reweighting strategy for obtaining unbiased free energy surfaces and presented a qualitative analysis of the latent space. This analysis showed that the latent space captures the relevant slow degrees of freedom for the RNA folding problem of interest. Finally, throughout the manuscript, we outlined how different parameters are selected and optimized to adapt DDMD for this system. We believe this compendium of decision-making processes will help new users adapt this technique for the rare-event sampling problems of their interest.

Gupta, Ayush↗

Epistatic Net allows the sparse spectral regularization of deep neural networks for inferring fitness functions

Abstract Despite recent advances in high-throughput combinatorial mutagenesis assays, the number of labeled sequences available to predict molecular functions has remained small for the vastness of the sequence space combined with the ruggedness of many fitness functions. While deep neural networks (DNNs) can capture high-order epistatic interactions among the mutational sites, they tend to overfit to the small number of labeled sequences available for training. Here, we developed Epistatic Net (EN), a method for spectral regularization of DNNs that exploits evidence that epistatic interactions in many fitness functions are sparse. We built a scalable extension of EN, usable for larger sequences, which enables spectral regularization using fast sparse recovery algorithms informed by coding theory. Results on several biological landscapes show that EN consistently improves the prediction accuracy of DNNs and enables them to outperform competing models which assume other priors. EN estimates the higher-order epistatic interactions of DNNs trained on massive sequence spaces-a computational problem that otherwise takes years to solve.

Aghazadeh, Amirali (ORCID:0000000302230873)↗

Quantum sensing for emerging energy technologies

The ability to exploit quantum phenomena has enabled sensing technologies with detection limits below the classical limit. Sensors with applications in energy discovery, production, transportation, and consumption can be enhanced through quantum or hybrid quantum-classical sensors. Here, in this Review, we provide an overview of commercial and emerging quantum sensor platforms and their opportunity areas specific to advanced energy technologies. Key examples include: power grid-enhancing-technologies, where quantum magnetometers can detect powerline and transformer faults; electric vehicle-to-grid applications, where chip-scale atomic clocks can enable grid synchronization; and carbon capture and storage, where quantum gravimeters and single-photo LiDAR can detect microscopic leaks. Quantum sensor deployment requires further research into miniaturization and ruggedization for field deployment, cost-reduction, and workforce development. The maturation of clean energy technologies and quantum sensors provide opportunities for synergy, with the integration of quantum sensors into advanced energy technologies maximizing their security, reliability, and efficiency.

critical metals↗

A Harmonics Interferometric Doppler Sensor With a Neon Lamp Detector

A cost-effective harmonic interferometric Doppler sensor has been developed to obtain both amplitude and phase of the micro-Doppler signatures of moving objects. A phase chopper is used to generate the harmonics of the interferometry signal. For cost-effectiveness, a Gunn diode source is used for signal generation and a neon lamp is employed as a broadband detector. An advanced signal processing algorithm has been developed to extract both amplitude and phase Doppler signatures. A prototype has been built to demonstrate the effectiveness of the harmonic interferometric Doppler sensor at 35 GHz, with Doppler objects such as human hand and metal objects. In addition, the broadband detection capability of the neon lamp allows the Doppler sensor to work up to the millimeter-wave regime and potentially beyond the terahertz (THz) wave regime. Due to the ruggedness of the neon lamp detector, it is expected that the Doppler sensor has important applications of sensing and wireless communication in harsh environment such as high-temperature, high-power and radioactive conditions.

Doppler sensor↗