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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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At least 145 records · Page 8

RCSB Protein Data Bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences

Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), the US data center for the global PDB archive and a founding member of the Worldwide Protein Data Bank partnership, serves tens of thousands of data depositors in the Americas and Oceania and makes 3D macromolecular structure data available at no charge and without restrictions to millions of RCSB.org users around the world, including >660 000 educators, students and members of the curious public using PDB101.RCSB.org. PDB data depositors include structural biologists using macromolecular crystallography, nuclear magnetic resonance spectroscopy, 3D electron microscopy and micro-electron diffraction. PDB data consumers accessing our web portals include researchers, educators and students studying fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences. During the past 2 years, the research-focused RCSB PDB web portal (RCSB.org) has undergone a complete redesign, enabling improved searching with full Boolean operator logic and more facile access to PDB data integrated with >40 external biodata resources. New features and resources are described in detail using examples that showcase recently released structures of SARS-CoV-2 proteins and host cell proteins relevant to understanding and addressing the COVID-19 global pandemic.

59 BASIC BIOLOGICAL SCIENCES↗

A Dynamic Model for the Evaluation of Aircraft Engine Icing Detection and Control-Based Mitigation Strategies

Aircraft flying in regions of high ice crystal concentrations are susceptible to the buildup of ice within the compression system of their gas turbine engines. This ice buildup can restrict engine airflow and cause an uncommanded loss of thrust, also known as engine rollback, which poses a potential safety hazard. The aviation community is conducting research to understand this phenomena, and to identify avoidance and mitigation strategies to address the concern. To support this research, a dynamic turbofan engine model has been created to enable the development and evaluation of engine icing detection and control-based mitigation strategies. This model captures the dynamic engine response due to high ice water ingestion and the buildup of ice blockage in the engines low pressure compressor. It includes a fuel control system allowing engine closed-loop control effects during engine icing events to be emulated. The model also includes bleed air valve and horsepower extraction actuators that, when modulated, change overall engine operating performance. This system-level model has been developed and compared against test data acquired from an aircraft turbofan engine undergoing engine icing studies in an altitude test facility and also against outputs from the manufacturers customer deck. This paper will describe the model and show results of its dynamic response under open-loop and closed-loop control operating scenarios in the presence of ice blockage buildup compared against engine test cell data. Planned follow-on use of the model for the development and evaluation of icing detection and control-based mitigation strategies will also be discussed. The intent is to combine the model and control mitigation logic with an engine icing risk calculation tool capable of predicting the risk of engine icing based on current operating conditions. Upon detection of an operating region of risk for engine icing events, the control mitigation logic will seek to change the engines operating point to a region of lower risk through the modulation of available control actuators while maintaining the desired engine thrust output. Follow-on work will assess the feasibility and effectiveness of such control-based mitigation strategies.

engine control↗

A Dynamic Model for the Evaluation of Aircraft Engine Icing Detection and Control-Based Mitigation Strategies

Aircraft flying in regions of high ice crystal concentrations are susceptible to the buildup of ice within the compression system of their gas turbine engines. This ice buildup can restrict engine airflow and cause an uncommanded loss of thrust, also known as engine rollback, which poses a potential safety hazard. The aviation community is conducting research to understand this phenomena, and to identify avoidance and mitigation strategies to address the concern. To support this research, a dynamic turbofan engine model has been created to enable the development and evaluation of engine icing detection and control-based mitigation strategies. This model captures the dynamic engine response due to high ice water ingestion and the buildup of ice blockage in the engines low pressure compressor. It includes a fuel control system allowing engine closed-loop control effects during engine icing events to be emulated. The model also includes bleed air valve and horsepower extraction actuators that, when modulated, change overall engine operating performance. This system-level model has been developed and compared against test data acquired from an aircraft turbofan engine undergoing engine icing studies in an altitude test facility and also against outputs from the manufacturers customer deck. This paper will describe the model and show results of its dynamic response under open-loop and closed-loop control operating scenarios in the presence of ice blockage buildup compared against engine test cell data. Planned follow-on use of the model for the development and evaluation of icing detection and control-based mitigation strategies will also be discussed. The intent is to combine the model and control mitigation logic with an engine icing risk calculation tool capable of predicting the risk of engine icing based on current operating conditions. Upon detection of an operating region of risk for engine icing events, the control mitigation logic will seek to change the engines operating point to a region of lower risk through the modulation of available control actuators while maintaining the desired engine thrust output. Follow-on work will assess the feasibility and effectiveness of such control-based mitigation strategies.

engine control↗

Electrochemical Degradation of Pt 3 Co Nanoparticles Investigated by Off-Lattice Kinetic Monte Carlo Simulations with Machine-Learned Potentials

In fuel cell applications, the durability of catalysts is critical for large-scale industrial implementation. However, limited synthesis controllability and spectroscopic resolution impede a comprehensive understanding of degradation mechanisms at the atomic level. In this study, we develop a machine-learned potential (MLP) to simulate the degradation processes for Pt3Co nanoparticles. The precision of MLP is determined to be comparable to that of density functional theory calculations. Using off-lattice kinetic Monte Carlo simulations with MLP, we successfully replicate established experimental trends and offer a logical resolution to ongoing debates regarding atomic orderings. Based on the simulation results, we suggest design principles for Pt3Co nanoparticles that combine high activity and durability. Finally, we validate the wide applicability of our method by successfully applying it to Pt3Ni and Pt3Co0.5Ni0.5 nanoparticles. The research serves as a guideline for developing MLPs for alloy electrochemical catalysts and lays the foundation for designing more durable and active fuel-cell catalysts.

36 MATERIALS SCIENCE↗

SBML Level 3: an extensible format for the exchange and reuse of biological models

Systems biology has experienced dramatic growth in the number, size, and complexity of computational models. To reproduce simulation results and reuse models, researchers must exchange unambiguous model descriptions. We review the latest edition of the Systems Biology Markup Language (SBML), a format designed for this purpose. A community of modelers and software authors developed SBML Level 3 over the past decade. Its modular form consists of a core suited to representing reaction-based models and packages that extend the core with features suited to other model types including constraint-based models, reaction-diffusion models, logical network models, and rule-based models. The format leverages two decades of SBML and a rich software ecosystem that transformed how systems biologists build and interact with models. More recently, the rise of multiscale models of whole cells and organs, and new data sources such as single-cell measurements and live imaging, has precipitated new ways of integrating data with models. We provide our perspectives on the challenges presented by these developments and how SBML Level 3 provides the foundation needed to support this evolution.

59 BASIC BIOLOGICAL SCIENCES↗

Preliminary design for a standard 10 sup 7 bit Solid State Memory (SSM)

A modular concept with three separate modules roughly separating bubble domain technology, control logic technology, and power supply technology was employed. These modules were respectively the standard memory module (SMM), the data control unit (DCU), and power supply module (PSM). The storage medium was provided by bubble domain chips organized into memory cells. These cells and the circuitry for parallel data access to the cells make up the SMM. The DCU provides a flexible serial data interface to the SMM. The PSM provides adequate power to enable one DCU and one SMM to operate simultaneously at the maximum data rate. The SSM was designed to handle asynchronous data rates from dc to 1.024 Mbs with a bit error rate less than 1 error in 10 to the eight power bits. Two versions of the SSM, a serial data memory and a dual parallel data memory were specified using the standard modules. The SSM specification includes requirements for radiation hardness, temperature and mechanical environments, dc magnetic field emission and susceptibility, electromagnetic compatibility, and reliability.

Hayes, P. J.↗

Hydrothermal systems as environments for the emergence of life

Analysis of the chemical disequilibrium provided by the mixing of hydrothermal fluids and seawater in present-day systems indicates that organic synthesis from CO2 or carbonic acid is thermodynamically favoured in the conditions in which hyperthermophilic microorganisms are known to live. These organisms lower the Gibbs free energy of the chemical mixture by synthesizing many of the components of their cells. Primary productivity is enormous in hydrothermal systems because it depends only on catalysis of thermodynamically favourable, exergonic reactions. It follows that hydrothermal systems may be the most favourable environments for life on Earth. This fact makes hydrothermal systems logical candidates for the location of the emergence of life, a speculation that is supported by genetic evidence that modern hyperthermophilic organisms are closer to a common ancestor than any other forms of life. The presence of hydrothermal systems on the early Earth would correspond to the presence of liquid water. Evidence that hydrothermal systems existed early in the history of Mars raises the possibility that life may have emerged on Mars as well. Redox reactions between water and rock establish the potential for organic synthesis in and around hydrothermal systems. Therefore, the single most important parameter for modelling the geochemical emergence of life on the early Earth or Mars is the composition of the rock which hosts the hydrothermal system.

Non-NASA Center↗

Three-Function Logic Gate Controlled by Analog Voltage

The figure is a schematic diagram of a complementary metal oxide/semiconductor (CMOS) electronic circuit that performs one of three different logic functions, depending on the level of an externally applied control voltage, V(sub sel). Specifically, the circuit acts as A NAND gate at V(sub sel) = 0.0 V, A wire (the output equals one of the inputs) at V(sub sel) = 1.0 V, or An AND gate at V(sub sel) = -1.8 V. [The nominal power-supply potential (VDD) and logic "1" potential of this circuit is 1.8 V.] Like other multifunctional circuits described in several prior NASA Tech Briefs articles, this circuit was synthesized following an automated evolutionary approach that is so named because it is modeled partly after the repetitive trial-and-error process of biological evolution. An evolved circuit can be tested by computational simulation and/or tested in real hardware, and the results of the test can provide guidance for refining the design through further iteration. The evolutionary synthesis of electronic circuits can now be implemented by means of a software package Genetic Algorithms for Circuit Synthesis (GACS) that was developed specifically for this purpose. GACS was used to synthesize the present trifunctional circuit. As in the cases of other multifunctional circuits described in several prior NASA Tech Briefs articles, the multiple functionality of this circuit, the use of a single control voltage to select the function, and the automated evolutionary approach to synthesis all contribute synergistically to a combination of features that are potentially advantageous for the further development of robust, multiple-function logic circuits, including, especially, field-programmable gate arrays (FPGAs). These advantages include the following: This circuit contains only 9 transistors about half the number of transistors that would be needed to obtain equivalent NAND/wire/AND functionality by use of components from a standard digital design library. If multifunctional gates like this circuit were used in the place of the configurable logic blocks of present commercial FPGAs, it would be possible to change the functions of the resulting digital systems within shorter times. For example, by changing a single control voltage, one could change the function of thousands of FPGA cells within nanoseconds. In contrast, typically, the reconfiguration in a conventional FPGA by use of bits downloaded from look-up tables via a digital bus takes microseconds.

Zebulum, Ricardo↗

Leveraging FPGA Advantages for Quicker Data Processing for LBNF

The Long Baseline Neutrino Facility (LBNF) will deliver a 2.4 MW muon neutrino beam from Fermilab to the Deep Underground Neutrino Experiment (DUNE), requiring unprecedented precision in beamline alignment to achieve DUNE's neutrino oscillation measurement goals. Vertical misalignments of beamline components as small as 0.5 mm can contribute 6-7\% uncertainty in predicted neutrino flux, necessitating sub-0.1 mm alignment monitoring capabilities. The Horn Location Sensor (HLS) system employs frequency sweep interferometry (FSI) in a distributed hydrostatic leveling network to achieve the required precision under harsh radiation conditions up to 5000 kRad/year. Traditional FSI implementations suffer from laser sweep nonlinearities that degrade resolution and require computationally intensive post-processing corrections using gas reference cells. This work presents a real-time FPGA-based implementation of the HLS data acquisition and processing system using a sweep tracker interferometer for dynamic sweep linearization. The system utilizes a PYNQ-Z2 FPGA with programmable logic implementing parallel 16k-point FFT processing across four channels, synchronized by the sweep tracker signal to eliminate post-processing requirements. Spectral performance testing demonstrates significant improvements in peak sharpness compared to traditional fixed-frequency digitization. The FPGA implementation enables real-time displacement monitoring with processing speeds orders of magnitude faster than software-based approaches, essential for the operational requirements of LBNF's eventual distributed sensor network. This advancement in real-time FSI processing directly supports DUNE's precision neutrino physics program by providing the rapid feedback necessary for maintaining stringent beamline alignment tolerances during high-power beam operations.

Rossel, Jacob↗

Real-Time FPGA Implementation For Frequency Sweep Interferometry In The LBNF Complex

The Long Baseline Neutrino Facility (LBNF) will deliver a 2.4 MW muon neutrino beam from Fermilab to the Deep Underground Neutrino Experiment (DUNE), requiring unprecedented precision in beamline alignment to achieve DUNE's neutrino oscillation measurement goals. Vertical misalignments of beamline components as small as 0.5 mm can contribute 6-7\% uncertainty in predicted neutrino flux, necessitating sub-0.1 mm alignment monitoring capabilities. The Horn Location Sensor (HLS) system employs frequency sweep interferometry (FSI) in a distributed hydrostatic leveling network to achieve the required precision under harsh radiation conditions up to 5000 kRad/year. Traditional FSI implementations suffer from laser sweep nonlinearities that degrade resolution and require computationally intensive post-processing corrections using gas reference cells. This work presents a real-time FPGA-based implementation of the HLS data acquisition and processing system using a sweep tracker interferometer for dynamic sweep linearization. The system utilizes a PYNQ-Z2 FPGA with programmable logic implementing parallel 16k-point FFT processing across four channels, synchronized by the sweep tracker signal to eliminate post-processing requirements. Spectral performance testing demonstrates significant improvements in peak sharpness compared to traditional fixed-frequency digitization. The FPGA implementation enables real-time displacement monitoring with processing speeds orders of magnitude faster than software-based approaches, essential for the operational requirements of LBNF's eventual distributed sensor network. This advancement in real-time FSI processing directly supports DUNE's precision neutrino physics program by providing the rapid feedback necessary for maintaining stringent beamline alignment tolerances during high-power beam operations.

Rossel, A. Jacob [Fermilab; Unlisted]↗

AMReX v2024

The software framework, AMReX, supports the development of block-structured adaptive mesh refinement (AMR) algorithms for solving systems of partial differential equations. AMR reduces the computational cost and memory footprint compared to a uniform mesh while preserving the essential local descriptions of different physical processes in complex multiphysics algorithms. AMR uses a hierarchical representation of the solution at multiple levels of resolution where the solution on each level is defined on the union of data containers at that resolution. These data containers, which represent the solution over a logically rectangular subregion of the domain, can contain field data defined on a mesh, Lagrangian particles or combinations of both. In addition to these basic data types, AMReX supports a multilevel embedded boundary representation of complex geometry; linear solvers for cell-centered and nodal data; asynchronous I/O in a native format readable by ParaView, VisIt and yt; and interfaces to hypre and PETSc solvers. AMReX enables applications to run on distributed memory architectures with multicore CPUs and with GPU accelerators. AMReX uses a lightweight abstraction layer that effectively hides the details of the architecture from the application. The framework currently supports CUDA, HIP and SYCL for GPU acceleration and OpenMP for multi-core CPU architectures.

Almgren, Ann↗

Systems and methods of long-duration energy storage and regeneration of energy-bearing redox pairs

Described herein are systems and methods of storing and delivering electrical using hydrogen at low-cost and for long-durations. The systems and methods use energy-bearing redox pairs that electrochemically bear energy through decoupled hydrogen and oxygen consumption and/or evolution reactions, which are typically associated with fuel cells. Each species of the energy-bearing redox pair is associated with a standard electrode potential within a water electrolysis voltage window for the electrolyte solution. Electrical energy delivery, hydrogen generation, electrolyte regeneration, or combinations thereof can be performed by logically or physically separated unit operations in a continuous manner, batch manner, or semi-batch manner facilitated by the energy-bearing redox pair.

08 HYDROGEN↗

Whole cell simulator

A whole cell model (WCM) is a comprehensive multi-scale computational model representing all the known biochemical processes in a cell. It relies on a variety of intracellular pathway models and omics data. This computational framework enables seamless integration of diverse simulation methods used in WCM such as stochastic simulation algorithm (SSA), ordinary differential equations (ODE), flux balance analysis (FBA), and logic-based approaches. These methods run simultaneously, not only for whole pathways but also for subsets of reactions. Furthermore, we aim to enable dynamic switching between the methods when beneficial. Is

GEORGAKOUDIS, GIORGIS↗

Parallel Anisotropic Tetrahedral Adaptation

An adaptive method that robustly produces high aspect ratio tetrahedra to a general 3D metric specification without introducing hybrid semi-structured regions is presented. The elemental operators and higher-level logic is described with their respective domain-decomposed parallelizations. An anisotropic tetrahedral grid adaptation scheme is demonstrated for 1000-1 stretching for a simple cube geometry. This form of adaptation is applicable to more complex domain boundaries via a cut-cell approach as demonstrated by a parallel 3D supersonic simulation of a complex fighter aircraft. To avoid the assumptions and approximations required to form a metric to specify adaptation, an approach is introduced that directly evaluates interpolation error. The grid is adapted to reduce and equidistribute this interpolation error calculation without the use of an intervening anisotropic metric. Direct interpolation error adaptation is illustrated for 1D and 3D domains.

Park, Michael A.↗

Periodic binary sequence generators: VLSI circuits considerations

Feedback shift registers are efficient periodic binary sequence generators. Polynomials of degree r over a Galois field characteristic 2(GF(2)) characterize the behavior of shift registers with linear logic feedback. The algorithmic determination of the trinomial of lowest degree, when it exists, that contains a given irreducible polynomial over GF(2) as a factor is presented. This corresponds to embedding the behavior of an r-stage shift register with linear logic feedback into that of an n-stage shift register with a single two-input modulo 2 summer (i.e., Exclusive-OR gate) in its feedback. This leads to Very Large Scale Integrated (VLSI) circuit architecture of maximal regularity (i.e., identical cells) with intercell communications serialized to a maximal degree.

Perlman, M.↗

Three-Dimensional Bubble Fluidics in Architected Porous Media

Gas bubble flows in porous media often exhibit complex and seemingly unpredictable behaviors that are difficult to control. This lack of control limits the ability to design effective devices which manage multiphase flows. Here, we show how the design of 3D printed pores can deterministically control the flow path of an injected gas stream. Open cell structures can be designed to shape the gas/liquid interface with fidelity to control how the two phases are distributed throughout a porous material. The distributed gas volume is free to interact physically and chemically with the surrounding liquid phase, an effect we exploit to create a logical control gate to redirect flows within a lattice. This also allows us to design architectures for reactive capture and aerating bioreactors, resulting in patterned boundaries which can make more effective use of the liquid and gas reagents.

3D microfluidics↗

A DRAM compiler algorithm for high performance VLSI embedded memories

In many applications, the limited density of the embedded SRAM does not allow integrating the memory on the same chip with other logic and functional blocks. In such cases, the embedded DRAM provides the optimum combination of very high density, low power, and high performance. For ASIC's to take full advantage of this design strategy, an efficient and highly reliable DRAM compiler must be used. The embedded DRAM architecture, cell, and peripheral circuit design considerations and the algorithm of a high performance memory compiler are presented .

Eldin, A. G.↗

Radiation-Hardened GaN HEMT and Cell Design, Modeling, and Fabrication for Nuclear Instrumentation Applications

Recent advances in nuclear power generation technologies show great promise for efficient, safe generation of carbon-free power in the near future. Consequently, many new generation reactor designs are being pursued by government and industry groups, including both fission- and fusion-based technologies. Radiation- and temperature-tolerant sensor technology continues to advance, yet development of the electronics/instrumentation technologies suitable for these environments have fallen behind. Industry has adequately addressed harsh environment electronics needs for low earth orbit satellites, but the much more extreme conditions associated with electronics placed near or in a reactor core remain unaddressed. This project investigates the use of gallium nitride (GaN) circuit technology to address the unique needs for sensor interface electronics and communications in reactor environments. This report provides a summary of the first year’s project activities related to developing and optimizing devices and circuits for this GaN high electronic mobility transistor (HEMT) process. Activities reported include multiple analog and digital circuit designs simulated using custom Verilog-A models generated from measured GaN devices fabricated in the target process. Digital circuit designs included fundamental logic circuits such as an inverter, NAND, NOR, AND and OR gates, as well as a 5-stage ring oscillator. Each design was simulated using an open-source SPICE simulator, and an integrated circuit layout was produced of each design for use in future fabrication. Analog circuit designs focused on the fundamental building blocks to be used to construct sensor interface and communications circuits. These included current mirrors, matched differential pairs, and a Gilbert cell mixer design, each with an associated integrated circuit layout. Layout tools used for these designs included two open-source packages—KLayout and Magic—which were customized for specific use with the OSU GaN process layers. Design rules and preliminary device extraction capabilities were built for the Magic tool to enable device extraction and subsequent netlist generation for SPICE simulation. Finally, future research directions for year two are summarized. When the year-two directions are implemented, the project will be in position to advance the state of the art in electronics for near- or in-reactor sensor interfacing and communications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗