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486 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Remote surface optical phonon scattering in ferroelectric Ba 0.6 Sr 0.4 TiO 3 gated graphene

We report the effect of remote surface optical (RSO) phonon scattering on carrier mobility in monolayer graphene gated by ferroelectric oxide. We fabricate monolayer graphene transistors back-gated by epitaxial (001) Ba 0.6 Sr 0.4 TiO 3 films, with field effect mobility up to 23 000 cm 2 V –1 s –1 achieved. Switching ferroelectric polarization induces nonvolatile modulation of resistance and quantum Hall effect in graphene at low temperatures. Ellipsometry spectroscopy studies reveal four pairs of optical phonon modes in Ba 0.6 Sr 0.4 TiO 3 , from which we extract RSO phonon frequencies. The temperature dependence of resistivity in graphene can be well accounted for by considering the scattering from the intrinsic longitudinal acoustic phonon and the RSO phonon, with the latter dominated by the mode at 35.8 meV. Furthermore, our study reveals the room temperature mobility limit of ferroelectric-gated graphene transistors imposed by RSO phonon scattering.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Electronic Still Camera

A handheld, programmable, digital camera is disclosed that supports a variety of sensors and has program control over the system components to provide versatility. The camera uses a high performance design which produces near film quality images from an electronic system. The optical system of the camera incorporates a conventional camera body that was slightly modified, thus permitting the use of conventional camera accessories, such as telephoto lenses, wide-angle lenses, auto-focusing circuitry, auto-exposure circuitry, flash units, and the like. An image sensor, such as a charge coupled device ('CCD') collects the photons that pass through the camera aperture when the shutter is opened, and produces an analog electrical signal indicative of the image. The analog image signal is read out of the CCD and is processed by preamplifier circuitry, a correlated double sampler, and a sample and hold circuit before it is converted to a digital signal. The analog-to-digital converter has an accuracy of eight bits to insure accuracy during the conversion. Two types of data ports are included for two different data transfer needs. One data port comprises a general purpose industrial standard port and the other a high speed/high performance application specific port. The system uses removable hard disks as its permanent storage media. The hard disk receives the digital image signal from the memory buffer and correlates the image signal with other sensed parameters, such as longitudinal or other information. When the storage capacity of the hard disk has been filled, the disk can be replaced with a new disk.

Holland, S. Douglas↗
DOE OSTI2022

2022 AI Testbed Expeditions Report

By exploiting the coherent properties of a light source, coherent diffraction imaging (CDI) is able to obtain the sample image at a nanoscale resolution using the measured diffraction pattern. Bragg Coherent Diffraction Imaging (BCDI) has become valuable for recovering the displacement and strain field of crystals, providing a valuable tool in material science and solid-state physics. X-ray ptychography is another emerging CDI technique that can produce a high-resolution image of the extended sample and has become popular in many research areas (e.g., materials science, biology, electronics, and optics characterization). CDI including BCDI and ptychography has become an established technique in Synchrotron Facilities including the Advanced Photon Source (APS) and will greatly benefit from the 100x coherent flux increase of the upcoming APS Upgrade (APSU). The current image formation process in CDI employs iterative phase retrieval algorithms, which is a time-consuming and computationally expensive process. Especially after APSU, the traditional iterative methods will not be able to match the experimental data acquisition speed. We employ deep learning (DL) approach to replace the iterative approaches, therefore allowing hundreds of times faster recovery of the object. We developed AutoPhaseNN, a DL-based approach which learns to solve the inverse problem without labeled data. Taking 3D BCDI as a representative technique, AutoPhaseNN has been demonstrated to be one hundred times faster than traditional iterative phase retrieval methods while providing comparable image quality. The current network is trained with 64 x 64 x 64 data size, to achieve higher resolution imaging, we will need to scale the network to input and train/infer 3D arrays of size 256 x 256 x 256 (today) and of size 2560x2560x2560 (APSU). However, the scalability of the network is restricted due to the memory-intensive training process. To perform the training for a 256 x 256 x 256 data size, the required memory exceeds the capacity of the current machine. In this project, we explore using Sambanova system to train the network for the direct data inversion for CDI.

36 MATERIALS SCIENCE↗
NASA NTRS2011

NASA Tech Briefs, July 2011

Topics covered include: 1) Collaborative Clustering for Sensor Networks; 2) Teleoperated Marsupial Mobile Sensor Platform Pair for Telepresence Insertion Into Challenging Structures; 3) Automated Verification of Spatial Resolution in Remotely Sensed Imagery; 4) Electrical Connector Mechanical Seating Sensor; 5) In Situ Aerosol Detector; 6) Multi-Parameter Aerosol Scattering Sensor; 7) MOSFET Switching Circuit Protects Shape Memory Alloy Actuators; 8) Optimized FPGA Implementation of Multi-Rate FIR Filters Through Thread Decomposition; 9) Circuit for Communication Over Power Lines; 10) High-Efficiency Ka-Band Waveguide Two-Way Asymmetric Power Combiner; 11) 10-100 Gbps Offload NIC for WAN, NLR, and Grid Computing; 12) Pulsed Laser System to Simulate Effects of Cosmic Rays in Semiconductor Devices; 13) Flight Planning in the Cloud; 14) MPS Editor; 15) Object-Oriented Multi Disciplinary Design, Analysis, and Optimization Tool; 16) Cryogenic-Compatible Winchester Connector Mount and Retaining System for Composite Tubes; 17) Development of Position-Sensitive Magnetic Calorimeters for X-Ray Astronomy; 18) Planar Rotary Piezoelectric Motor Using Ultrasonic Horns; 19) Self-Rupturing Hermetic Valve; 20) Explosive Bolt Dual-Initiated from One Side; 21) Dampers for Stationary Labyrinth Seals; 22) Two-Arm Flexible Thermal Strap; 23) Carbon Dioxide Removal via Passive Thermal Approaches; 24) Polymer Electrolyte-Based Ambient Temperature Oxygen Microsensors for Environmental Monitoring; 25) Pressure Shell Approach to Integrated Environmental Protection; 26) Image Quality Indicator for Infrared Inspections; 27) Micro-Slit Collimators for X-Ray/Gamma-Ray Imaging; 28) Scatterometer-Calibrated Stability Verification Method; 29) Test Port for Fiber-Optic-Coupled Laser Altimeter; 30) Phase Retrieval System for Assessing Diamond Turning and Optical Surface Defects; 31) Laser Oscillator Incorporating a Wedged Polarization Rotator and a Porro Prism as Cavity Mirror; 32) Generic, Extensible, Configurable Push-Pull Framework for Large-Scale Science Missions; 33) Dynamic Loads Generation for Multi-Point Vibration Excitation Problems; 34) Optimal Control via Self-Generated Stochasticity; 35) Space-Time Localization of Plasma Turbulence Using Multiple Spacecraft Radio Links; 36) Surface Contact Model for Comets and Asteroids; 37) Dust Mitigation Vehicle; 38) Optical Coating Performance for Heat Reflectors of the JWST-ISIM Electronic Component; 39) SpaceCube Demonstration Platform; 40) Aperture Mask for Unambiguous Parity Determination in Long Wavelength Imagers; 41) Spaceflight Ka-Band High-Rate Radiation-Hard Modulator; 42) Enabling Disabled Persons to Gain Access to Digital Media; 43) Cytometer on a Chip; 44) Principles, Techniques, and Applications of Tissue Microfluidics; and 45) Two-Stage Winch for Kites and Tethered Balloons or Blimps.

Source record↗
DOE OSTI2025

Single nuclear spin detection and control in a van der Waals material

Optically active spin defects in solids are leading candidates for quantum sensing and quantum networking. Recently, single spin defects were discovered in hexagonal boron nitride (hBN), a layered van der Waals (vdW) material. Owing to its two-dimensional structure, hBN allows spin defects to be positioned closer to target samples than in three-dimensional crystals, making it ideal for atomic-scale quantum sensing, including nuclear magnetic resonance (NMR) of single molecules. However, the chemical structures of these defects remain unknown and detecting a single nuclear spin with a hBN spin defect has been elusive. Here we report the creation of single spin defects in hBN using 13 C ion implantation and the identification of three distinct defect types based on hyperfine interactions. We observed both S = 1/2 and S = 1 spin states within a single hBN spin defect. We demonstrated atomic-scale NMR and coherent control of individual nuclear spins in a vdW material, with a π-gate fidelity up to 99.75% at room temperature. By comparing experimental results with density functional theory (DFT) calculations, we propose chemical structures for these spin defects. Our work advances the understanding of single spin defects in hBN and provides a pathway to enhance quantum sensing using hBN spin defects with nuclear spins as quantum memories.

Quantum metrology↗
NASA NTRSDate not supplied

Delay Tolerant, Radio Frequency Identification (RFID )-enabled Sensing

Radio Frequency Identification (RFID) technology offers a completely passive method to transmit fixed data sequences from an RFID tag, which typically doesn’t have its own power supply, to an interrogator. Radio frequency (RF) energy harvested from the interrogator is rectified by the tag and used to charge an integrated circuit (IC). The IC then modulates the received signal with the data stored on the tag and reflects the energy back to the interrogator. RFID has seen great proliferation in terrestrial inventory management applications, and it has recently made the jump to spaceflight applications onboard the International Space Station, augmenting an existing optical bar‐code infrastructure for tracking supplies. A number of advanced automated logistics management (ALM) concepts employing RFID are currently being developed and evaluated, including so‐called “smart” shelves, cubbies, and trash receptacles using low‐power, embeddable RFID interrogators. An infrastructure where both crew members and robotic assistants, such as autonomous free flyers, are similarly equipped with small RFID interrogators seems likely. It therefore behooves us to consider extending this infrastructure beyond ALM to applications such as low power, embedded sensing. Typically, data on an RFID tag can only be written by an RFID interrogator, using interrogator energy. In recent years, however, a few efforts have focused on using that energy to drive data acquisition from the tag IC, allowing the tag to modify its stored data sequence with sensor data before replying to an interrogator. In this way, the tag can act as a completely passive sensing device. One problem exists with this approach, however: the tag cannot gather data when an interrogator is not present. Thus, strictly passive RFID sensing tags cannot gather data at regular intervals, in the manner of a typical wireless sensor network, without careful, and impractical, planning of mobile interrogator movements. To address this shortcoming, we look to a recent advance in RFID technology which allows an external microprocessor to power the tag IC and write directly into its RFID memory using a wired serial interface. In this paradigm, data gathering is driven by a small, on‐board power supply (using batteries or harvested energy), and data transfer is provided passively through the RFID interrogation service. Since communication typically consumes the lion’s share of power in WSNs, such a technique has the potential to enable extremely long‐lived, embedded wireless sensing when used with extremely low‐current microcontrollers. Since the communication channel is only open when an interrogator is present and actively interrogating the RFID sensing tag, transport of periodically‐sampled sensor data presents itself as a delay/disruption‐tolerant networking (DTN) problem. In this paper, we present the design of a DTN‐like overlay on the common EPC Global, Class 1, Generation 2 RFID standard. This overlay allows seamless, guaranteed data transfer using the EPC Global protocol, supporting extremely low‐power, embedded sensing using an infrastructure likely to be already in place for ALM applications. We evaluate a prototype implementation of a complete end‐to‐end system using a robotic RFID interrogation agent, and we present future directions for the development of this sensing technique.

Raymond S. Wagner↗
DOE OSTI2026

Real-Time GPU-Accelerated OFDR With an Integrated Auxiliary Interferometer

A GPU-accelerated optical frequency domain reflectometry (OFDR) system with an improved integrated auxiliary interferometer is proposed. Unlike conventional approaches that require separate auxiliary interferometers and multiple detection channels, the proposed OFDR system embeds this functionality directly into the signal via an intentional beat component. This enables self-calibration of laser nonlinearity while maintaining a cost-effective hardware configuration. Building on this simplified configuration, the system leverages GPU acceleration with an NVIDIA RTX 4070 Ti to achieve real-time performance, delivering high-throughput signal processing for continuous OFDR interrogation. The signal processing pipeline comprises signal capture, resampling for nonlinearity compensation, and frequency shift computation, all optimized for parallel execution. Hardware benchmarking demonstrates substantial acceleration over CPU implementations, achieving up to a 45× speedup for resampling and frequency shift computations and enabling processing latencies below 30 ms. Thermal response validation is conducted under two complementary scenarios: localized heating using a water bath and cryogenic-temperature conditions using liquid nitrogen. Under localized heating, the system achieves an accuracy of 0.249 °C with a thermal sensitivity of 5.971 GHz/°C, while cryogenic-temperature validation demonstrates a frequency shift response with a sensitivity of 2.383 GHz/°C and an accuracy of 2.04 °C. The high acceleration of the proposed GPU-accelerated OFDR system and its accuracy are achieved by exploiting CUDA-based stride indexing, enabling efficient parallel segmentation and processing of large datasets without additional memory copies. The benchmarking results confirm the robustness, accuracy, and deployability of the proposed OFDR system across a wide temperature range, establishing it as a practical platform for real-time distributed fiber sensing in structurally dynamic environments.

Harb, Salah [Lawrence Berkeley National Laboratory↗
DOE OSTI2025

GRAPH — an readout ASIC for large MCP based detectors

We present a programmable 16 channel, mixed signal, low power readout ASIC, having the project historically named Gigasample Recorder of Analog waveforms from a PHotodetector (GRAPH). It is designed to read large aperture single photon imaging detectors using micro channel plates for charge multiplication, and measuring the detector's response on crossed strips anodes to extrapolate the incoming photon position. Each channel consists of a fast, low power and low noise charge sensitive amplifier, which provides a myriad of coarse and fine programmable options for gain and shaping settings. Further, the amplified signal is recorded using, to our knowledge novel, the Hybrid Universal sampLing Architecture (HULA) ADC. A kind of mixed signal double buffer memory, that enables concurrent waveform recording, and selected event digitized data extraction. The sampling frequency is freely adjustable between few kHz up to 125 MHz, while the chip's internal digital memory holds a history 2048 samples for each channel, with a digital headroom of 12 bits. An optimized region of interest sample-read algorithm allows to extract the information just around the event pulse peak, while selecting the next event, thus substantially reducing the operational dead time. The chip is designed in 130 nm TSMC CMOS technology, and its power consumption is around 47 mW per channel.

47 OTHER INSTRUMENTATION↗
NASA NTRS2009

Hardware Implementation of Serially Concatenated PPM Decoder

A prototype decoder for a serially concatenated pulse position modulation (SCPPM) code has been implemented in a field-programmable gate array (FPGA). At the time of this reporting, this is the first known hardware SCPPM decoder. The SCPPM coding scheme, conceived for free-space optical communications with both deep-space and terrestrial applications in mind, is an improvement of several dB over the conventional Reed-Solomon PPM scheme. The design of the FPGA SCPPM decoder is based on a turbo decoding algorithm that requires relatively low computational complexity while delivering error-rate performance within approximately 1 dB of channel capacity. The SCPPM encoder consists of an outer convolutional encoder, an interleaver, an accumulator, and an inner modulation encoder (more precisely, a mapping of bits to PPM symbols). Each code is describable by a trellis (a finite directed graph). The SCPPM decoder consists of an inner soft-in-soft-out (SISO) module, a de-interleaver, an outer SISO module, and an interleaver connected in a loop (see figure). Each SISO module applies the Bahl-Cocke-Jelinek-Raviv (BCJR) algorithm to compute a-posteriori bit log-likelihood ratios (LLRs) from apriori LLRs by traversing the code trellis in forward and backward directions. The SISO modules iteratively refine the LLRs by passing the estimates between one another much like the working of a turbine engine. Extrinsic information (the difference between the a-posteriori and a-priori LLRs) is exchanged rather than the a-posteriori LLRs to minimize undesired feedback. All computations are performed in the logarithmic domain, wherein multiplications are translated into additions, thereby reducing complexity and sensitivity to fixed-point implementation roundoff errors. To lower the required memory for storing channel likelihood data and the amounts of data transfer between the decoder and the receiver, one can discard the majority of channel likelihoods, using only the remainder in operation of the decoder. This is accomplished in the receiver by transmitting only a subset consisting of the likelihoods that correspond to time slots containing the largest numbers of observed photons during each PPM symbol period. The assumed number of observed photons in the remaining time slots is set to the mean of a noise slot. In low background noise, the selection of a small subset in this manner results in only negligible loss. Other features of the decoder design to reduce complexity and increase speed include (1) quantization of metrics in an efficient procedure chosen to incur no more than a small performance loss and (2) the use of the max-star function that allows sum of exponentials to be computed by simple operations that involve only an addition, a subtraction, and a table lookup. Another prominent feature of the design is a provision for access to interleaver and de-interleaver memory in a single clock cycle, eliminating the multiple clock-cycle latency characteristic of prior interleaver and de-interleaver designs.

Moision, Bruce↗
DOE OSTI2023

IceNet for FireBox - A Berkeley Warehouse-Scale Computer

Berkeley’s FireBox is a next-generation warehouse-scale computer (WSC) that utilizes the energy-efficiency and bandwidth density of integrated silicon-photonic interconnects to enable a new high-bandwidth and low-latency network fabric connecting thousands of compute nodes to petabytes of DRAM and Flash storage. The high bandwidth, low latency and high connectivity of FireBox’s WSC network fabric (IceNet) will enable dramatic improvements in the overall system energy efficiency enabling fine-grain power control on system resources (processors, links and memory/storage components). IceNet is a special 3-stage photonic Clos network architected to achieve ultra-low-latency connectivity between processor nodes and memory, drastically cutting down on the energy wasted in resource idling (processors and memory stalled due to pending network requests). This is achieved by integration of the first and last switch stages into processor/memory hub clients and by heavy over-provisioning of the high-radix middle switches (FlareSwitches). A key hardware component developed in this program is an active laser power management photonic integrated circuits called LightSpark. It interacts with the FlareSwitch and provides laser power to a subset of occupied switch ports, increasing the utilization of laser light in the photonic network by an order of magnitude. In addition to guiding the laser power where it is needed, the laser-power management module enables both wavelength and laser redundancy, significantly increasing the robustness of the system. The goal of the IceNet fabric is to enable communication between 1000s of processor nodes and PBs of memory/storage with <100ns latency, <10pJ/b wall-plug energy cost at multiple Pb/s of available connectivity bandwidth. These metrics represent two-orders of magnitude improvement with respect to the status of current data-center technology.

42 ENGINEERING↗
DOE OSTI2021

Understanding Complex Magnetic Spin Textures with Simulation-Assisted Lorentz Transmission Electron Microscopy

There is an increased interest in topologically nontrivial magnetic spin textures such as skyrmions and chiral domain-wall solitons, both from a point of fundamental physics understanding as well as potential technological interest in low-power memory applications. In order to control their behavior, it is necessary to understand their complex spin texture at the nanoscale. Lorentz transmission electron microscopy (LTEM) is a suitable technique for studying these systems due to its high spatial resolution and capability to simultaneously characterize magnetic texture and microstructure. In this work, we present the application of PyLorentz, an open-source software suite that we have developed, for quantitative image analysis of Neel-type skyrmions in thin-film heterostructures. PyLorentz enhances LTEM capabilities by enabling reconstruction of magnetic induction maps from experimental images, as well as simulating LTEM images using micromagnetic simulation data. We demonstrate this for simulated Neel skyrmions as well as experimental data from [Pt/Co/W] multilayer heterostructures. Finally, we also show how simulation-assisted LTEM analysis is crucial for understanding these complex magnetic spin textures, in which the reconstructed magnetic induction map (seen in the LTEM images) differs significantly from the magnetization configuration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1996

Improved Damage Resistant Composite Materials Incorporating Shape Memory Alloys

Metallic shape memory alloys (SMA) such as nitinol have unique shape recovery behavior and mechanical properties associated with a material phase change that have been used in a variety of sensing and actuation applications. Recent studies have shown that integrating nitinol-SMA actuators into composite materials increases the composite material's functionality. Hybrid composites of conventional graphite/epoxy or glass/epoxy and nitinol-SMA elements can perform functions in applications where monolithic composites perform inadequately. One such application is the use of hybrid composites to function both in load bearing and armor capacities. While monolithic composites with high strength-to-weight ratios function efficiently as loadbearing structures, because of their brittle nature, impact loading can cause significant catastrophic damage. Initial composite failure modes such as delamination and matrix cracking dissipate some impact energy, but when stress exceeds the composite's ultimate strength, fiber fracture and material perforation become dominant. One of the few methods that has been developed to reduce material perforation is hybridizing polymer matrix composites with tough kevlar or high modulus polyethynylene plies. The tough fibers increase the impact resistance and the stiffer and stronger graphite fibers carry the majority of the load. Similarly, by adding nitinol-SMA elements that absorb impact energy through the stress-induced martensitic phase transformation, the composites' impact perforation resistance can be greatly enhanced. The results of drop-weight and high velocity gas-gun impact testing of various composite materials will be presented. The results demonstrate that hybridizing composites with nitinol-SMA elements significantly increases perforation resistance compared to other traditional toughening elements. Inspection of the composite specimens at various stages of perforation by optical microscope illustrates the mechanisms by which perforation is initiated. Results suggest that the out-of-plane transverse shear properties of the composite and nitinol elements have a significant effect on the perforation resistance. Applications that can utilize the hybrid composites effectively will also be presented with the experimental studies.

Paine, Jeffrey S. N.↗
NASA NTRS2018

Materials International Space Station Experiment-9 (MISSE-9) Polymers and Composites Experiment

Spacecraft in low Earth orbit (LEO) are subjected to harsh environmental conditions, including radiation (cosmic rays, ultraviolet, x-ray, and charged particle radiation), micrometeoroids and orbital debris, temperature extremes, thermal cycling, and atomic oxygen (AO). These environmental exposures can result in erosion, embrittlement and optical property degradation, threatening spacecraft performance and durability. To increase our understanding of effects such as AO erosion and radiation induced embrittlement of spacecraft materials, NASA Glenn has developed a series of experiments flown as part of the Materials International Space Station Experiment (MISSE) missions on the exterior of the International Space Station (ISS). These experiments have provided critical LEO space environment durability data such as AO erosion data for many materials and mechanical properties changes after long term space exposure. In continuing these studies, a new experiment called the Polymers and Composites Experiment has been selected for flight on the MISSE-Flight Facility (MISSE-FF). The Polymers and Composites Experiment will be flown as part of the MISSE-9 mission, the inaugural mission of MISSE-FF manifested on SpaceX-14. This experiment includes 138 samples being flown in ram, wake or zenith orientations for space environmental durability assessment. The primary objective is to determine the LEO AO erosion yield, Ey (the volume loss per incident oxygen atom (cm3/atom)), of polymers, composites, and coated samples, as a function of solar irradiation and AO fluence. In addition, epoxy samples with varying levels of ZnO powder are included to study the effect of filler quantity on AO erosion. An AO Scattering Chamber is included to help improve the understanding of AO scattering mechanisms for improved AO undercutting modeling. Indium tin oxide (ITO) coated samples are included to validate the durability of ITO conductive coatings in LEO. Tensile samples of Teflon fluorinated ethylene propylene (FEP) of varying thicknesses and back-surface coatings will be flown in wake and zenith orientations to study radiation embrittlement versus thickness, and the effect of heating on FEP embrittlement. Finally, shape memory composite and cosmic ray shielding samples will be flown for LEO durability assessment. This paper presents an overview of the MISSE-9 Polymers and Composites Experiment.

Embrittlement↗
NASA NTRS2019

Electra: A Modular-Based Expansion of NASA's Supercomputing Capability

NASA has increasingly relied on high-performance computing (HPC) re- sources for computational modeling, simulation, and data analysis to meet the science and engineering goals of its missions in space exploration, aeronautics, and Earth and space science. The NASA Advanced Supercomputing (NAS) Division at Ames Research Center in Silicon Valley, Calif., hosts NASA’s premier supercomputing resources, integral to achieving and enhancing the success of the agency’s missions. NAS provides a balanced environment, funded under the High-End Computing Capability (HECC) project, comprised of world-class supercomputers, including its flagship distributed-memory cluster, Pleiades; high-speed networking; and massive data storage facilities, along with multi-disciplinary support teams for user support, code porting and optimization, and large-scale data analysis and scientific visualization. However, as scientists have increased the fidelity of their simulations and engineers are conducting larger parameter-space studies, the requirements for supercomputing resources have been growing by leaps and bounds. With the facility housing the HECC systems reaching its power and cooling capacity, NAS undertook a prototype project to investigate an alternative approach for housing supercomputers. Modular supercomputing, or container-based computing, is an innovative concept for expanding NASA’s HPC capabilities. With modular supercomputing, additional containers—similar to portable storage pods—can be connected together as needed to accommodate the agency’s ever-increasing demand for computing resources. In addition, taking advantage of the local weather permits the use of cooling technologies that would additionally save energy and reduce annual water usage. The first stage of NASA’s Modular Supercomputing Facility (MSF) prototype, which resulted in a 1,000 square-foot module on a concrete pad with room for 16 compute racks, was completed in Fall 2016 and an SGI (now HPE) computer system, named Electra, was deployed there in early 2017. Cooling is performed via an evaporative system built into the module, and preliminary experience shows a Power Usage Effectiveness (PUE) measurement of 1.03. Electra achieved over a petaflop on the LINPACK benchmark, sufficient to rank number 96 on the November 2016 TOP500 list [14]. The system consists of 1,152 InfiniBand-connected Intel Xeon Broadwell-based nodes. Its users access their files on a facility-wide file system shared by all HECC compute assets via Mellanox MetroX InfiniBand extenders, which connect the Electra fabric to Lustre routers in the primary facility over fiber-optic links about 900 feet long. The MSF prototype has exceeded expectations and is serving as a blueprint for future expansions. In the remainder of this chapter, we detail how modular data center technology can be used to expand an existing compute resource. We begin by describing NASA’s requirements for supercomputing and how resources were provided prior to the integration of the Electra module-based system.

Biswas, Rupak↗
DOE OSTI2021

iSPECTRON: a simulation interface for linear and nonlinear spectra with ab-initio quantum chemistry software

We introduce iSPECTRON, an open source (under the Educational Community License version 2.0) program that parses data from common quantum chemistry software (NWChem, OpenMolcas, Gaussian, Cobramm, etc.), produces the input files for the simulation of linear and nonlinear spectroscopy of molecules with the Spectron code, and analyzes the spectra with a broad range of tools. Vibronic spectra are expressed in term of the electronic eigenstates, obtained through quantum chemistry computations, and vibrational/bath effects are incorporated in the framework of the displaced harmonic oscillator model, where all required quantities are computed at the Franck-Condon point. The code capabilities are illustrated by simulating linear absorption, transient absorption and two dimensional electronic spectra of the pyrene molecule. Two levels of electronic structure theory, TDDFT (with NWChem) and RASSCF/RASPT2 (with OpenMolcas), are compared where possible. Acknowledgements: F.S., A.N., D.R.N., N.G., S.M, M.G. acknowledge support from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division under Award Nos. DE-SC0019484, KC-030103172684. The Spectron code was developed with support from the National Science Foundation (Grant CHE- 1953045). This research benefited from computational resources provided by EMSL, a DOE Office of Science User Facility sponsored by the Office of Biological and Environmental Research and located at PNNL. PNNL is operated by Battelle Memorial Institute for the United States Department of Energy under DOE Contract No. DE-AC05-76RL1830.

Segatta, Francesco↗
DOE OSTI2023

Error-Detectable Bosonic Entangling Gates with a Noisy Ancilla

Bosonic quantum error correction has proven to be a successful approach for extending the coherence of quantum memories, but to execute deep quantum circuits, high-fidelity gates between encoded qubits are needed. To that end, we present a family of error-detectable two-qubit gates for a variety of bosonic encodings. From a new geometric framework based on a “Bloch sphere” of bosonic operators, we construct ZZ L ⁡(θ) and exponential-swap(θ) gates for the binomial, four-legged cat, dual-rail, and several other bosonic codes. The gate Hamiltonian is simple to engineer, requiring only a programmable beam splitter between two bosonic qubits and an ancilla dispersively coupled to one qubit. This Hamiltonian can be realized in circuit QED hardware with ancilla transmons and microwave cavities. The proposed theoretical framework was developed for circuit QED but is generalizable to any platform that can effectively generate this Hamiltonian. Crucially, one can also detect first-order errors in the ancilla and the bosonic qubits during the gates. We show that this allows one to reach error-detected gate fidelities at the 0.01% level with today’s hardware, limited only by second-order hardware errors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1996

Development of a Computer Architecture to Support the Optical Plume Anomaly Detection (OPAD) System

The NASA OPAD spectrometer system relies heavily on extensive software which repetitively extracts spectral information from the engine plume and reports the amounts of metals which are present in the plume. The development of this software is at a sufficiently advanced stage where it can be used in actual engine tests to provide valuable data on engine operation and health. This activity will continue and, in addition, the OPAD system is planned to be used in flight aboard space vehicles. The two implementations, test-stand and in-flight, may have some differing requirements. For example, the data stored during a test-stand experiment are much more extensive than in the in-flight case. In both cases though, the majority of the requirements are similar. New data from the spectrograph is generated at a rate of once every 0.5 sec or faster. All processing must be completed within this period of time to maintain real-time performance. Every 0.5 sec, the OPAD system must report the amounts of specific metals within the engine plume, given the spectral data. At present, the software in the OPAD system performs this function by solving the inverse problem. It uses powerful physics-based computational models (the SPECTRA code), which receive amounts of metals as inputs to produce the spectral data that would have been observed, had the same metal amounts been present in the engine plume. During the experiment, for every spectrum that is observed, an initial approximation is performed using neural networks to establish an initial metal composition which approximates as accurately as possible the real one. Then, using optimization techniques, the SPECTRA code is repetitively used to produce a fit to the data, by adjusting the metal input amounts until the produced spectrum matches the observed one to within a given level of tolerance. This iterative solution to the original problem of determining the metal composition in the plume requires a relatively long period of time to execute the software in a modern single-processor workstation, and therefore real-time operation is currently not possible. A different number of iterations may be required to perform spectral data fitting per spectral sample. Yet, the OPAD system must be designed to maintain real-time performance in all cases. Although faster single-processor workstations are available for execution of the fitting and SPECTRA software, this option is unattractive due to the excessive cost associated with very fast workstations and also due to the fact that such hardware is not easily expandable to accommodate future versions of the software which may require more processing power. Initial research has already demonstrated that the OPAD software can take advantage of a parallel computer architecture to achieve the necessary speedup. Current work has improved the software by converting it into a form which is easily parallelizable. Timing experiments have been performed to establish the computational complexity and execution speed of major components of the software. This work provides the foundation of future work which will create a fully parallel version of the software executing in a shared-memory multiprocessor system.

Katsinis, Constantine↗
DOE OSTI2021

Efficient ptychographic phase retrieval via a matrix-free Levenberg-Marquardt algorithm

The phase retrieval problem, where one aims to recover a complex-valued image from far-field intensity measurements, is a classic problem encountered in a range of imaging applications. Modern phase retrieval approaches usually rely on gradient descent methods in a nonlinear minimization framework. Calculating closed-form gradients for use in these methods is tedious work, and formulating second order derivatives is even more laborious. Additionally, second order techniques often require the storage and inversion of large matrices of partial derivatives, with memory requirements that can be prohibitive for data-rich imaging modalities. We use a reverse-mode automatic differentiation (AD) framework to implement an efficient matrix-free version of the Levenberg-Marquardt (LM) algorithm, a longstanding method that finds popular use in nonlinear least-square minimization problems but which has seen little use in phase retrieval. Furthermore, we extend the basic LM algorithm so that it can be applied for more general constrained optimization problems (including phase retrieval problems) beyond just the least-square applications. Since we use AD, we only need to specify the physics-based forward model for a specific imaging application; the first and second-order derivative terms are calculated automatically through matrix-vector products, without explicitly forming the large Jacobian or Gauss-Newton matrices typically required for the LM method. We demonstrate that this algorithm can be used to solve both the unconstrained ptychographic object retrieval problem and the constrained “blind” ptychographic object and probe retrieval problems, under the popular Gaussian noise model as well as the Poisson noise model. We compare this algorithm to state-of-the-art first order ptychographic reconstruction methods to demonstrate empirically that this method outperforms best-in-class first-order methods: it provides excellent convergence guarantees with (in many cases) a superlinear rate of convergence, all with a computational cost comparable to, or lower than, the tested first-order algorithms.

36 MATERIALS SCIENCE↗