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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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All sources NASA NTRS DOE OSTI

DOE OSTI2020

Nonequilibrium thermodynamics of erasure with superconducting flux logic

We implement a thermal-fluctuation-driven logical bit reset on a superconducting flux logic cell. We show that the logical state of the system can be continuously monitored with only a small perturbation to the thermally activated dynamics at 500 mK. We use the trajectory information to derive a single-shot estimate of the work performed on the system per logical cycle. We acquire a sample of 10 5 erasure trajectories per protocol and show that the work histograms agree with both microscopic theory and global fluctuation theorems. The results demonstrate how to design and diagnose complex, high-speed, and thermodynamically efficient computing using superconducting technology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1979

Feasibility study for a numerical aerodynamic simulation facility. Volume 2: Hardware specifications/descriptions

An FMP (Flow Model Processor) was designed for use in the Numerical Aerodynamic Simulation Facility (NASF). The NASF was developed to simulate fluid flow over three-dimensional bodies in wind tunnel environments and in free space. The facility is applicable to studying aerodynamic and aircraft body designs. The following general topics are discussed in this volume: (1) FMP functional computer specifications; (2) FMP instruction specification; (3) standard product system components; (4) loosely coupled network (LCN) specifications/description; and (5) three appendices: performance of trunk allocation contention elimination (trace) method, LCN channel protocol and proposed LCN unified second level protocol.

Green, F. M.↗

NASA NTRS1991

Structural reliability analysis of laminated CMC components

For laminated ceramic matrix composite (CMC) materials to realize their full potential in aerospace applications, design methods and protocols are a necessity. The time independent failure response of these materials is focussed on and a reliability analysis is presented associated with the initiation of matrix cracking. A public domain computer algorithm is highlighted that was coupled with the laminate analysis of a finite element code and which serves as a design aid to analyze structural components made from laminated CMC materials. Issues relevant to the effect of the size of the component are discussed, and a parameter estimation procedure is presented. The estimation procedure allows three parameters to be calculated from a failure population that has an underlying Weibull distribution.

Duffy, Stephen F.↗

NASA NTRS1991

Structural reliability analysis of laminated CMC components

Duffy, Stephen F.↗

NASA NTRS1999

A Study of Flame Propagation on Water-Mist Laden Gas Mixtures in Microgravity

The use of water mists (very fine water sprays) for fire suppression is currently receiving increased attention as a replacement technology for halogen-based chemical agents-such as Halon 1301 (CF3Br)--the manufacturing of which has been banned by the Montreal Protocol due to their high ozone depletion potential. Water mist technology has been found effective for a wide range of applications such as Class B pool fires, shipboard machinery, aircraft cabins, computers, and electronic equipment. There are five distinct mechanisms by which water droplets may interact with a flame. First, the high enthalpy of vaporization of water (2450 kJ/kg) leads to heat removal from the flame front as the liquid droplets turn to steam. Second, as water vaporizes its volume increases approximately three orders of magnitude, which leads to the dilution of the oxygen and vaporized fuel required to maintain the flame. The third effect is the recombination of H-atoms and other radicals on the droplet surface. A fourth effect of water mists in fires is the retardation of surface propagation rates due to the wetting of walls and surfaces. The last potential impact of fine water mists affects the radiative propagation of the fire by forming an optically thick barrier to infrared radiation which prevents ignition of the unburned regions. Unfortunately, little fundamental information exists on the interaction of a flame with a water mist. To date, there is no widely accepted interpretation of the critical concentration of droplets required to suppress a flame or of the fundamental mechanisms involved in flame extinguishment by water mists. One of the main obstacles to obtaining such understanding is the difficulty of providing a simple, well-defined experimental setup for the flame front/water mist interaction. Some of the difficulty stems from the problem of generating, distributing and maintaining a homogeneous concentration of droplets throughout a chamber while gravity depletes the concentration and alters the droplet size by coalescence and agglomeration mechanisms. Experiments conducted in the absence of gravity provide an ideal environment to study the interaction of water mists and flames by eliminating these distorting effects. In addition, microgravity eliminates the complex flow patterns induced between the flame front and the water droplets. The long duration and quality of microgravity in space flights provide the required conditions to perform the setup and monitoring of flame suppression experiments. Consequently, a series of experiments have been identified to be performed on the Combustion Module (CM-2) in the Space Shuttle. These consist of measuring the extinguishing capability of a water mist on a premixed flame propagating along a tube. These experiments should provide the necessary data to obtain further understanding of the water mist suppression phenomena that can be later used to design and manufacture appropriate fire suppression systems. In preparation for the orbital flights, experiments have been conducted on low-gravity ground facilities to obtain the preliminary data necessary to define the scientific objectives and technical issues of the spacecraft experiments.

Abbud-Madrid, A.↗

NASA NTRS2013

MISL SDK Public Release

The Modular Integrated Stackable Layers (MISL) is a compact space-related computer system that is modular, scalable and reconfigurable. The original goal was to design a space environment capable instrumentation system with a flexible design so that as subsets of requirements changed, it minimized the need for new designs and maximized the reusability of the hardware and software modules. The result is a flexible, economical and small computer system that can be adapted to uses in space environment instrumentation and control. Current applications include habitat system instruments and control, dynamic flight instrumentation in rugged environments, in vehicle communication protocol converters and remote control unit for thruster jets. Future applications are limited only by the imagination!

Delaune, Paul↗

NASA NTRS2018

A Blueprint for Demonstrating Quantum Supremacy with Superconducting Qubits

Long coherence times and high fidelity control recently achieved in scalable superconducting circuits paved the way for the growing number of experimental studies of many-qubit quantum coherent phenomena in these devices. Albeit full implementation of quantum error correction and fault tolerant quantum computation remains a challenge the near term pre-error correction devices could allow new fundamental experiments despite inevitable accumulation of errors. One such open question foundational for quantum computing is achieving the so called quantum supremacy, an experimental demonstration of a computational task that takes polynomial time on the quantum computer whereas the best classical algorithm would require exponential time and/or resources. It is possible to formulate such a task for a quantum computer consisting of less than a 100 qubits. The computational task we consider is to provide approximate samples from a non-trivial quantum distribution. This is a generalization for the case of superconducting circuits of ideas behind boson sampling protocol for quantum optics introduced by Arkhipov and Aaronson. In this presentation we discuss a proof-of-principle demonstration of such a sampling task on a 9-qubit chain of superconducting gmon qubits developed by Google. We discuss theoretical analysis of the driven evolution of the device resulting in output approximating samples from a uniform distribution in the Hilbert space, a quantum chaotic state. We analyze quantum chaotic characteristics of the output of the circuit and the time required to generate a sufficiently complex quantum distribution. We demonstrate that the classical simulation of the sampling output requires exponential resources by connecting the task of calculating the output amplitudes to the sign problem of the Quantum Monte Carlo method. We also discuss the detailed theoretical modeling required to achieve high fidelity control and calibration of the multi-qubit unitary evolution in the device. We use a novel cross-entropy statistical metric as a figure of merit to verify the output and calibrate the device controls. Finally, we demonstrate the statistics of the wave function amplitudes generated on the 9-gmon chain and verify the quantum chaotic nature of the generated quantum distribution. This verifies the implementation of the quantum supremacy protocol.

Kechedzhi, Kostyantyn↗

NASA NTRS2019

Earth Science Technology Office (ESTO) New Observing Strategies (NOS) and NOS-Testbed (NOS-T)

With the advancement of space hardware technologies such as smaller spacecraft, component and instrument miniaturization and high performance space processors, and with the advancement of software technologies in artificial intelligence, big data analysis and autonomous decision making, Earth Science is looking at novel ways to observe phenomena that previously could not have been studied or would have been too expensive to study with traditional missions. In particular, the New Observing Strategies (NOS) component of the NASA Earth Science Technology Office (ESTO) Advanced Information Systems Technology (AIST) Program aims at leveraging these novel technologies as well as low cost and easy access to space to acquire multi-temporal or simultaneous multi-angular, multi-locations, multi-resolution and multi-spectral observations that will provide better multi-source measurements and will build a more dynamic and comprehensive picture of Earth Science phenomena that need to be studied and analyzed. For applications such as water resources management, air quality monitoring, biodiversity studies or disaster management, NOS will integrate the use of small instruments, small spacecraft, constellations of spacecraft and networks of sensors to design new missions that will provide the necessary measurements to improve future forecast and science modeling systems.Measurement acquisition will therefore be approached as a system of systems rather than on a mission basis, and a system of this complexity should not be expected to work without full integration and experimental characterization. Although most of the individual technologies enabling to link and coordinate multi-source observations are more or less mature, a few technologies need to be developed and all of them need to be integrated and tested as a system. In order for this validation to occur, the AIST Program is developing the NOS Testbed that includes 3 main goals:1.Validate novel NOS technologies, independently and as a system2.Demonstrate novel distributed operations concepts3.Socialize new Distributed Spacecraft Mission (DSM) and SensorWeb (SW) technologies and concepts to the science community by significantly retiring the risk of integrating these new technologies.The NOS Testbed will consist of multiple sensing nodes, simulated or actual, representing space, air and/or ground measurements, that are interconnected by a communications fabric (infrastructure that permits nodes to transmit and receive data between one another and interact with each other). Each node will be supported by hardware capabilities required to perform nodes monitoring and command & control, as well as intelligent "onboard" computing. The nodes will work together in a collaborative manner to demonstrate optimal science capabilities. The testbed will enable to validate technologies such as inter-node communication models, techniques and protocols; inter-node coordination; real-time data fusion and understanding; planning; sensor re-targeting; etc. Additionally, the testbed will have the capability to interact with various mission design tools, OSSEs and one or several forecast models. More details about the NOS Testbed will be presented at the confererence.

Earth Science missions; Advanced information Syste↗

DOE OSTI2021

Real-Time XFEL Data Analysis at SLAC and NERSC: a Trial Run of Nascent Exascale Experimental Data Analysis

X-ray scattering experiments using Free Electron Lasers (XFELs) are a powerful tool to determine the molecular structure and function of unknown samples (such as COVID-19 viral proteins). XFEL experiments are a challenge to computing in two ways: i) due to the high cost of running XFELs, a fast turnaround time from data acquisition to data analysis is essential to make informed decisions on experimental protocols; ii) data collection rates are growing exponentially, requiring new scalable algorithms. Here we report our experiences analyzing data from two experiments at the Linac Coherent Light Source (LCLS) during September 2020. Raw data were analyzed on NERSC's Cori XC40 system, using the Superfacility paradigm: our workflow automatically moves raw data between LCLS and NERSC, where it is analyzed using the software package CCTBX. We achieved real time data analysis with a turnaround time from data acquisition to full molecular reconstruction in as little as 10 min -- sufficient time for the experiment's operators to make informed decisions. By hosting the data analysis on Cori, and by automating LCLS-NERSC interoperability, we achieved a data analysis rate which matches the data acquisition rate. Furthermore, completing data analysis with 10 mins is a first for XFEL experiments and an important milestone if we are to keep up with data collection trends.

Blaschke, Johannes P.↗

DOE OSTI2021

Next-generation yeast-two-hybrid analysis with Y2H-SCORES identifies novel interactors of the MLA immune receptor

Protein-protein interaction networks are one of the most effective representations of cellular behavior. In order to build these models, high-throughput techniques are required. Next-generation interaction screening (NGIS) protocols that combine yeast two-hybrid (Y2H) with deep sequencing are promising approaches to generate interactome networks in any organism. However, challenges remain to mining reliable information from these screens and thus, limit its broader implementation. Here, we present a computational framework, designated Y2H-SCORES, for analyzing high-throughput Y2H screens. Y2H-SCORES considers key aspects of NGIS experimental design and important characteristics of the resulting data that distinguish it from RNA-seq expression datasets. Three quantitative ranking scores were implemented to identify interacting partners, comprising: 1) significant enrichment under selection for positive interactions, 2) degree of interaction specificity among multi-bait comparisons, and 3) selection of in-frame interactors. Using simulation and an empirical dataset, we provide a quantitative assessment to predict interacting partners under a wide range of experimental scenarios, facilitating independent confirmation by one-to-one bait-prey tests. Simulation of Y2H-NGIS enabled us to identify conditions that maximize detection of true interactors, which can be achieved with protocols such as prey library normalization, maintenance of larger culture volumes and replication of experimental treatments. Y2H-SCORES can be implemented in different yeast-based interaction screenings, with an equivalent or superior performance than existing methods. Proof-of-concept was demonstrated by discovery and validation of novel interactions between the barley nucleotide-binding leucine-rich repeat (NLR) immune receptor MLA6, and fourteen proteins, including those that function in signaling, transcriptional regulation, and intracellular trafficking.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1984

Research in computer science

The research efforts of University of Virginia students under a NASA sponsored program are summarized and the status of the program is reported. The research includes: testing method evaluations for N version programming; a representation scheme for modeling three dimensional objects; fault tolerant protocols for real time local area networks; performance investigation of Cyber network; XFEM implementation; and vectorizing incomplete Cholesky conjugate gradients.

Ortega, J. M.↗

NASA NTRS2011

10-100 Gbps Offload NIC for WAN, NLR, and Grid Computing

An extremely fast offload engine system has been developed that operates at 60 Gigabits per second (Gbps), and has scalability to 100 Gbps full-duplex (f-d). This system is based on unique coding and architecture derived from splintered UDP (User Datagram Protocol) offload technology, resulting in unique FPGA (field programmable gate array) intellectual property core and firmware. This innovation improves the networking speed of supercomputer clusters by providing an ultra-fast network protocol processing offload from a CPU (central processing unit) by inserting an offload engine into a host backplane and network connections. This runs on protocol firmware.

Awrach, James↗

DOE OSTI2022

Complexity Phase Diagram for Interacting and Long-Range Bosonic Hamiltonians

Here, we classify phases of a bosonic lattice model based on the computational complexity of classically simulating the system. We show that the system transitions from being classically simulable to classically hard to simulate as it evolves in time, extending previous results to include on-site number-conserving interactions and long-range hopping. Specifically, we construct a complexity phase diagram with easy and hard “phases” and derive analytic bounds on the location of the phase boundary with respect to the evolution time and the degree of locality. We find that the location of the phase transition is intimately related to upper bounds on the spread of quantum correlations and protocols to transfer quantum information. Remarkably, although the location of the transition point is unchanged by on-site interactions, the nature of the transition point does change. Specifically, we find that there are two kinds of transitions, sharp and coarse, broadly corresponding to interacting and noninteracting bosons, respectively. Our Letter motivates future studies of complexity in many-body systems and its interplay with the associated physical phenomena.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Packaged SMIP Smart Connector for Ectron Computers

The project provides appropriate software modules, which allow to represent a physical oven as a virtual oven model. For that a virtual oven model is developed, which defines oven parameters like temperature, power consumption but also the door status and the humidity. To connect a real oven to the virtual model for monitoring and control multiple sensors are used to collect data. Using a MQTT based data connection the measured parameters are send to the CESMII environment for further processing and monitoring. Within this project the CESMII model for the general oven was developed and provided. Further the sensors were connected to the actual oven. The sensor data is collected via means of a MQTT based data transfer protocol to a gateway module. The gateway module then translates and transfers the collected data to the actual CESMII oven model.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Fault-Tolerant Operation of Bosonic Qubits with Discrete-Variable Ancillae

Fault-tolerant quantum computation with bosonic qubits often necessitates the use of noisy discrete-variable ancillae. In this work, we establish a comprehensive and practical fault-tolerance framework for such a hybrid system and synthesize it with fault-tolerant protocols by combining bosonic quantum error correction (QEC) and advanced quantum control techniques. We introduce essential building blocks of error-corrected gadgets by leveraging ancilla-assisted bosonic operations using a generalized variant of path-independent quantum control. Using these building blocks, we construct a universal set of error-corrected gadgets that tolerate a single-photon loss and an arbitrary ancilla fault for four-legged cat qubits. Notably, our construction requires only dispersive coupling between bosonic modes and ancillae, as well as beam-splitter coupling between bosonic modes, both of which have been experimentally demonstrated with strong strengths and high accuracy. Moreover, each error-corrected bosonic qubit is comprised of only a single bosonic mode and a three-level ancilla, featuring the hardware efficiency of bosonic QEC in the full fault-tolerant setting. We numerically demonstrate the feasibility of our schemes using current experimental parameters in the circuit-QED platform. Finally, we present a hardware-efficient architecture for fault-tolerant quantum computing by concatenating the four-legged cat qubits with an outer qubit code utilizing only beam-splitter couplings. Our estimates suggest that the overall noise threshold can be reached using existing hardware. These developed fault-tolerant schemes extend beyond their applicability to four-legged cat qubits and can be adapted for other rotation-symmetrical codes, offering a promising avenue toward scalable and robust quantum computation with bosonic qubits. Published by the American Physical Society 2024

Physics↗

DOE OSTI2020

Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids—A case study in diamond

While Diffusion Monte Carlo (DMC) is in principle an exact stochastic method for ab initio electronic structure calculations, in practice, the fermionic sign problem necessitates the use of the fixed-node approximation and trial wavefunctions with approximate nodes (or zeros). This approximation introduces a variational error in the energy that potentially can be tested and systematically improved. Here, we present a computational method that produces trial wavefunctions with systematically improvable nodes for DMC calculations of periodic solids. These trial wavefunctions are efficiently generated with the configuration interaction using a perturbative selection made iteratively (CIPSI) method. A simple protocol in which both exact and approximate results for finite supercells are used to extrapolate to the thermodynamic limit is introduced. This approach is illustrated in the case of the carbon diamond using Slater–Jastrow trial wavefunctions including up to one million Slater determinants. Fixed-node DMC energies obtained with such large expansions are much improved, and the fixed-node error is found to decrease monotonically and smoothly as a function of the number of determinants in the trial wavefunction, a property opening the way to a better control of this error. The cohesive energy extrapolated to the thermodynamic limit is in close agreement with the estimated experimental value. Interestingly, this is also the case at the single-determinant level, thus, indicating a very good error cancellation in carbon diamond between the bulk and atomic total fixed-node energies when using single-determinant nodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Tutorial: Extracting entanglement signatures from neutron spectroscopy

This tutorial is a pedagogical introduction to recent methods of computing quantum spin entanglement witnesses from spectroscopy, with a special focus on neutron scattering on quantum spin systems. We offer a brief introduction to the concepts and equations, define a data analysis protocol, and discuss the interpretation of three entanglement witnesses: one-tangle, two-tangle, and Quantum Fisher Information. We also discuss practical experimental considerations, and give three examples of extracting entanglement witnesses from experimental data: Copper Nitrate, KCuF 3 , and NiPS 3 .

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Too Many Materials and Too Many Applications: An Experimental Problem Waiting for a Computational Solution

Finding the best material for a specific application is the ultimate goal of materials discovery. However, there is also the reverse problem: when experimental groups discover a new material, they would like to know all the possible applications this material would be promising for. Computational modeling can aim to fulfill this expectation, thanks to the sustained growth of computing power and the collective engagement of the scientific community in developing more efficient and accurate workflows for predicting materials' performances. We discuss the impact that reproducibility and automation of the modeling protocols have on the field of gas adsorption in nanoporous crystals. We envision a platform that combines these tools and enables effective matching between promising materials and industrial applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗