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At least 1,531 records · Page 85

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NASA NTRSDate not supplied

ICE-RASSOR: Intelligent Capabilities Enhanced Regolith Advanced Surface Systems Operations Robot

NASA’s Regolith Advanced Surface Systems Operations Robot (RASSOR) is principally designed to mine and deliver regolith for In-Situ Resource Utilization (ISRU)processing. RASSOR’s design enables it to efficiently collect and deposit regolith, return collected material for processing, and myriad related ISRU activities. To reliably perform these operations on the lunar surface, RASSOR software and sensory systems need to be robust and maximize the information extracted from a reduced sensor payload. Herein, we present preliminary findings from the Intelligent Capabilities Enhanced RASSOR project. We apply supervised learning using real data to estimate the soil mass collected without the need for mass flow rate monitors or other explicate sensing techniques. We also create a reduced-order simulation environment to develop autonomous trenching controllers via reinforcement learning and prototype state estimation architectures. Our initial results suggest that excavated regolith mass can be inferred within 2.9% RMS error of full scale, and reinforcement learning for autonomous operations has learned viable trenching strategies and helped identify desirable sensing capabilities, arrangements, and considerations. Future work includes regolith mass estimation during dynamic operation, expanding our simulation to more complex environments, and transfer learning from simulation to hardware.

machine learning↗

NASA NTRSDate not supplied

ICE-RASSOR: Intelligent Capabilities Enhanced Regolith Advanced Surface Systems Operations Robot

NASA’s Regolith Advanced Surface Systems Operations Robot (RASSOR) is principally designed to mine and deliver regolith for In-Situ Resource Utilization (ISRU) processing. RASSOR’s design enables it to efficiently collect and deposit regolith, return collected material for processing, and myriad related ISRU activities. To reliably perform these operations on the lunar surface, RASSOR software and sensory systems need to be robust and maximize the information extracted from on-board sensory. Herein, we present preliminary findings from the Intelligent Capabilities Enhanced RASSOR project. We apply supervised learning using real data to estimate the soil mass collected without the need for mass flow rate monitors or other explicate sensing techniques. We also create a reduced-order simulation environment to develop autonomous trenching controllers via reinforcement learning and proto-type state estimation architectures. Our initial results suggest that excavated regolith mass can be inferred within 2.9% RMS error of full scale, and reinforcement learning for autonomous operations has learned viable trenching strategies and helped identify desirable sensing capabilities, arrangements, and considerations. Future work includes regolith mass estimation during dynamic operation, expanding our simulation to more complex environments, and transfer learning from simulation to hardware.

machine learning↗

DOE OSTI2024

Adaptive Computing and Multi-Fidelity Strategies for Control, Design and Scale-Up of Renewable Energy Applications

We describe our ongoing research in adaptive computing and multi-fidelity modeling strategies. Our goal is to use a combination of low- and high-fidelity simulation models to enable computationally efficient optimization and uncertainty quantification. We develop optimization formulations that take into account the compute resources currently available, which act as a constraint with regards to the fidelity level simulation we can run while maximizing information gain. These strategies are being implemented into a software framework with a generalized API allowing its application to a broad range of applications, from power grid stability and buildings control to material synthesis and biofuels processing. We will discuss a few examples from these applications that can benefit from this approach, especially when considering challenges arising in scaling up experiments and simulations.

adaptive computing↗

DOE OSTI2023

Efficient low-temperature, catalyst-free dehydrogenation of alkanes

Steam cracking of ethane, a non-catalytic thermochemical process, remains the dominant means of ethylene production. The severe reaction conditions and energy expenditure involved in this process incentivize the search for alternative reaction pathways and reactor designs which maximize ethylene yield while minimizing cost and energy input. According to the present invention, ethylene yields as high as 68% were obtained with a quartz open tube reactor without the use of a catalyst or a cofed stream of oxidizing agents. The open tube reactor design promotes simplicity, low cost, and negligible coke formation. Reactor designs can be optimized to improve the conversion of ethane to ethylene via non-oxidative dehydrogenation, an approach which shows promise for decentralized production of ethylene from natural gas deposits.

Riley, Christopher Ryan↗

DOE OSTI2026

Study of wrap mode impact on Pseudomonas aeruginosa motion in the chemotactic field of fungi

An agent-based discrete computational model biologically calibrated to Pseudomonas aeruginosa migration is used to explore the impacts of bacterial reversals and wrap mode on the efficiency of motion in different environments, both with and without chemotaxis. It is first shown that wrap mode increases the exploration of continuous multimodal chemotactic profiles such as those produced by biologically relevant fungal networks. For cells undergoing a run-reverse pattern, it is shown that the bacteria are likely to remain at the first local chemoattractant maximal production site on a hypha they find. However, with wrap mode, the bacteria can more easily escape these local sites to further explore their neighboring environment along the fungi, suggesting that wrap mode may be beneficial for migration along the fungi in liquid. In a different set of simulations of bacterial motion close to an isolated chemotactic source, wrap mode is shown to increase the ability of a bacterium to reorient toward the source while reducing the overall motion required for similar chemotactic efficiency as a run-reverse strategy, suggesting a potential metabolic benefit. In contrast, model simulations show that wrap mode can increase the rate of dispersal of P. aeruginosa in a nonchemotactic environment.

Hansen, Austin [University of California, Riversid↗

DOE OSTI2026

Improving Performance via Energy Efficiency JUSTIFI: Open-Source Software for Identifying and Quantifying Non-Energy Benefits

Energy efficiency is pivotal to achieving operational excellence, as it enhances value while reducing waste. This presentation explores the integration of non-energy benefits (NEBs) into energy efficiency projects, which can lead to risk reduction, value creation, and cost savings. By quantifying NEBs - such as improved safety, decreased pollution, and increased productivity - companies can strengthen their business cases for energy investments, ultimately improving payback periods and aligning with strategic goals. Designed for a diverse audience, from trained auditors to novices in energy assessments, we have developed open-source software called JUSTIFI, NEB finding methodology, and training materials which build on existing frameworks and leverages resources from the U.S. Department of Energy and Better Plants energy system analysis software suite such as MEASUR. This work aims to maximize ROI through NEB identification, utilizing tools like JUSTIFI and the NEBs Discovery Protocol.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

HydroChrono: An Open-Source Hydrodynamics Package for Project Chrono

In this paper we present the development and verification of HydroChrono, a hydrodynamics package for the Project Chrono physics engine. This package includes the implementation of hydrodynamics equations, the added mass for multibody systems, the development of I/O functions as well as a Python API, and comparison against standard reference cases and other existing tools. HydroChrono provides a flexible, fully open-source solution for simulating wave energy converters (WECs), floating offshore wind turbines (FOWTs) platforms, and other hydrodynamic systems. Here we show, via comparisons with existing tools for benchmark verification cases, that HydroChrono accurately models hydrodynamic forces - making it a useful tool for the design and optimization of these systems. Additionally, the integration of HydroChrono with Project Chrono offers access to finite element modeling capabilities and high-fidelity modelling - with Chrono's existing coupling to CFD and SPH codes. This provides numerical modelers with a multifidelity simulation framework for designing and validating these systems. The development of HydroChrono provides a new, open-source solution for simulating hydrodynamic systems. Its compatibility with other simulation tools enables a more streamlined and efficient design process, advancing the field and providing new opportunities for innovation in this area.

BEM↗

DOE OSTI2015

Particle acceleration in cosmic plasmas – paradigm change?

The presentation begins by considering the requirements on the acceleration mechanism. It is found that at least some particles in high-energy sources are accelerated by magnetic reconnection (and not by shocks). The two paradigms can be distinguished by the hardness of the spectra. Shocks typically produce spectra with p > 2 (relativistic shocks have p ~ 2.2); non-linear shocks & drift acceleration may give p < 2, e.g. p=1.5; B-field dissipation can give p = 1. Then collapse of stressed magnetic X-point in force-free plasma and collapse of a system of magnetic islands are taken up, including Island merger: forced reconnection. Spectra as functions of sigma are shown, and gamma ~ 10 9 is addressed. It is concluded that reconnection in magnetically-dominated plasma can proceed explosively, is an efficient means of particle acceleration, and is an important (perhaps dominant for some phenomena) mechanism of particle acceleration in high energy sources.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

A frequency and sensitivity tunable microresonator array for high-speed quantum processor readout

Superconducting microresonators have been successfully utilized as detection elements for a wide variety of applications. With multiplexing factors exceeding 1000 detectors per transmission line, they are the most scalable low-temperature detector technology demonstrated to date. For high-throughput applications, fewer detectors can be coupled to a single wire but utilize a larger per-detector bandwidth. For all existing designs, fluctuations in fabrication tolerances result in a non-uniform shift in resonance frequency and sensitivity, which ultimately limits the efficiency of bandwidth utilization. Here, we present the design, implementation, and initial characterization of a superconducting microresonator readout integrating two tunable inductances per detector. We demonstrate that these tuning elements provide independent control of both the detector frequency and sensitivity, allowing us to maximize the transmission line bandwidth utilization. Finally, we discuss the integration of these detectors in a multilayer fabrication stack for high-speed readout of the D-Wave quantum processor, highlighting the use of control and routing circuitry composed of single-flux-quantum loops to minimize the number of control wires at the lowest temperature stage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

SU-F-BRB-12: A Novel Haar Wavelet Based Approach to Deliver Non-Coplanar Intensity Modulated Radiotherapy Using Sparse Orthogonal Collimators

Purpose: Existing efforts to replace complex multileaf collimator (MLC) by simple jaws for intensity modulated radiation therapy (IMRT) resulted in unacceptable compromise in plan quality and delivery efficiency. We introduce a novel fluence map segmentation method based on compressed sensing for plan delivery using a simplified sparse orthogonal collimator (SOC) on the 4π non-coplanar radiotherapy platform. Methods: 4π plans with varying prescription doses were first created by automatically selecting and optimizing 20 non-coplanar beams for 2 GBM, 2 head & neck, and 2 lung patients. To create deliverable 4π plans using SOC, which are two pairs of orthogonal collimators with 1 to 4 leaves in each collimator bank, a Haar Fluence Optimization (HFO) method was used to regulate the number of Haar wavelet coefficients while maximizing the dose fidelity to the ideal prescription. The plans were directly stratified utilizing the optimized Haar wavelet rectangular basis. A matching number of deliverable segments were stratified for the MLC-based plans. Results: Compared to the MLC-based 4π plans, the SOC-based 4π plans increased the average PTV dose homogeneity from 0.811 to 0.913. PTV D98 and D99 were improved by 3.53% and 5.60% of the corresponding prescription doses. The average mean and maximal OAR doses slightly increased by 0.57% and 2.57% of the prescription doses. The average number of segments ranged between 5 and 30 per beam. The collimator travel time to create the segments decreased with increasing leaf numbers in the SOC. The two and four leaf designs were 1.71 and 1.93 times more efficient, on average, than the single leaf design. Conclusion: The innovative dose domain optimization based on compressed sensing enables uncompromised 4π non-coplanar IMRT dose delivery using simple rectangular segments that are deliverable using a sparse orthogonal collimator, which only requires 8 to 16 leaves yet is unlimited in modulation resolution. This work is supported in part by Varian Medical Systems, Inc. and NIH R43 CA18339.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

Co,N-codoped graphene as efficient electrocatalyst for hydrogen evolution reaction: Insight into the active centre

Co and N co-doped carbon (CNC) material is one of the most promising precious-metal-free catalyst for hydrogen evolution reaction (HER), however, widespread application of CNC will require continuous innovation and optimization of fabrication to maximize electrocatalytic performance, which is always a challenge. Herein, two types of three-dimensional (3D) graphene materials synthesized by one-step of simultaneous doping (Co,N/3DG-1) and two-step of sequential doping (Co,N/3DG-2) respectively, are evaluated and correlated their electrocatalytic activity for HER with experimental parameters. The results indicate that Co,N/3DG-2 exhibits significantly better electrocatalytic activity than Co,N/3DG-1. The structure analysis reveals that Co,N/3DG-2 has more moderate Co-N coordinated number than Co,N/3DG-1. Density functional theory calculations unravels that the equilibrium C and N around Co atom is more favorable to the adsorption and desorption of hydrogen. In conclusion, the results shed new light on the rational design of dual hetero-atom co-doped carbon materials, which may be applicable to other energy conversion and storage systems.

electrocatalyst↗

DOE OSTI2023

Optimal decision-making in high-throughput virtual screening pipelines

Screening large pools of molecular candidates to identify those with specific design criteria or targeted properties is demanding in various science and engineering domains. While a high-throughput virtual screening (HTVS) pipeline can provide efficient means to achieving this goal, its design and operation often rely on experts' intuition, potentially resulting in suboptimal performance. In this paper, we fill this critical gap by presenting a systematic framework that can maximize the return on computational investment (ROCI) of such HTVS campaigns. Based on various scenarios, we empirically validate the proposed framework and demonstrate its potential to accelerate scientific discoveries through optimal computational campaigns, especially in the context of virtual screening.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller–Plesset perturbation method

Here, using an OpenMP Application Programming Interface, the resolution-of-the-identity second-order Møller–Plesset perturbation (RI-MP2) method has been off-loaded onto graphical processing units (GPUs), both as a standalone method in the GAMESS electronic structure program and as an electron correlation energy component in the effective fragment molecular orbital (EFMO) framework. First, a new scheme has been proposed to maximize data digestion on GPUs that subsequently linearizes data transfer from central processing units (CPUs) to GPUs. Second, the GAMESS Fortran code has been interfaced with GPU numerical libraries (e.g., NVIDIA cuBLAS and cuSOLVER) for efficient matrix operations (e.g., matrix multiplication, matrix decomposition, and matrix inversion). The standalone GPU RI-MP2 code shows an increasing speedup of up to 7.5× using one NVIDIA V100 GPU with one IBM 42-core P9 CPU for calculations on fullerenes of increasing size from 40 to 260 carbon atoms using the 6-31G(d)/cc-pVDZ-RI basis sets. A single Summit node with six V100s can compute the RI-MP2 correlation energy of a cluster of 175 water molecules using the correlation consistent basis sets cc-pVDZ/cc-pVDZ-RI containing 4375 atomic orbitals and 14 700 auxiliary basis functions in ~0.85 h. In the EFMO framework, the GPU RI-MP2 component shows near linear scaling for a large number of V100s when computing the energy of an 1800-atom mesoporous silica nanoparticle in a bath of 4000 water molecules. The parallel efficiencies of the GPU RI-MP2 component with 2304 and 4608 V100s are 98.0% and 96.1%, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

EV Charging Infrastructure Roadmap

As highlighted in the U.S. Department of Energy’s EV Everywhere Grand Challenge, vehicle technology is advancing toward an objective to “… produce plug-in electric vehicles that are as affordable and convenient for the average American family as today’s gasoline-powered vehicles …” [1] by developing more efficient drivetrains, greater battery energy storage per dollar, and lighter-weight vehicle components and construction. With this technology advancement and improved vehicle performance, the objective for charging infrastructure is to promote vehicle adoption and maximize the number of electric miles driven. The EV Everywhere Charging Infrastructure Roadmap (hereafter referred to as Roadmap) looks forward and assumes that the technical challenges and vehicle performance improvements set forth in the EV Everywhere Grand Challenge will be met. The Roadmap identifies and prioritizes deployment of charging infrastructure in support of this charging infrastructure objective for the EV Everywhere Grand Challenge

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1972

Geocentric solar electric propulsion vehicle design.

Mission applications have been studied that use solar electric propulsion (SEP) to inject payloads into geocentric orbits. Two specific applications feasible with current technology are described that approximate practical bounds for the next decade. In the lower extreme, SEP is used on a Thor-Delta launched satellite to maximize the weight injected into synchronous orbits. In the other extreme, SEP is used in a reusable interorbital tug together with an all-chemical shuttle/tug transportation system. Different trajectory profiles are required to most efficiently accomplish the overall mission objectives in the two cases.

Harney, E. D.↗

NASA NTRS1990

Optimal thruster configurations for the GP-B spacecraft

Thruster locations and control schemes which make the most efficient use of the available propellant of a constant flow propulsion system are investigated. A set of three necessary and sufficient conditions are established for a thruster system to be optimal in the sense of maximizing the smallest magnitude force which can be generated by the thrusters. Analytical expressions are derived for the 'the envelope of least authority' which is defined as the smallest force magnitude versus moment magnitude which can be generated by any given thruster system. Several thruster configurations are proposed for the GP-B spacecraft and their performance is compared with respect to their envelopes of least authority. The results are applicable to any system composed of thrusters which saturate at some finite value.

Wiktor, P.↗

NASA NTRS1991

Design optimization of transonic airfoils

Numerical optimization procedures were considered for the design of airfoils in transonic flow based on the transonic small disturbance (TSD) and Euler equations. A sequential approximation optimization technique was implemented with an accurate approximation of the wave drag based on the Nixon's coordinate straining approach. A modification of the Euler surface boundary conditions was implemented in order to efficiently compute design sensitivities without remeshing the grid. Two effective design procedures producing converged designs in approximately 10 global iterations were developed: interchanging the role of the objective function and constraint and the direct lift maximization with move limits which were fixed absolute values of the design variables.

Joh, C.-Y.↗

NASA NTRS1994

Optimized design of a hypersonic nozzle

Conventional procedures for designing nozzles involve the design of an inviscid contour (using the method of characteristics) that is corrected with a displacement thickness calculated from boundary-layer theory. However, nozzles designed using this classical procedure have been shown to exhibit poor flow quality at Mach numbers characteristic of hypersonic applications. The nozzle to be designed will be a part of the NASA HYPULSE facility which is being used for hypervelocity flight research. Thus, the flow quality of the nozzle is a critical question that needs to be addressed. Design of nozzles for hypersonic applications requires a proper assessment of the effects of the thick boundary layer on the inviscid flowfield. Since the flow field is largely supersonic, the parabolized form of the Navier-Stokes (PNS) equations can be used. The requirement of a uniform flow at the exit plane of the nozzle can be used to define an objective function as part of an optimization procedure. The design procedure used in this study involves the coupling of a nonlinear (least-squares) optimization algorithm with an efficient, explicit PNS solver. The thick boundary layers growing on the walls of the nozzle limit the extent of the usable core region (region with uniform flow) for testing models (especially rectangular). In order to maximize the region of uniform flow, it was decided to have the exit plane of this nozzle to be (nearly) rectangular. Thus, an additional constraint on the nozzle shape resulted, namely the nozzle will have a shape transitioning from a circular one at the inlet to that of a rectangle at the exit. In order to provide for a smooth shape transition, the cross sectional contour of the nozzle is defined by a superellipse. The nozzle is taken to be a meter in length. The axial variations of the major and minor radii of the superellipse are governed by cubic splines. The design parameters are the coefficients of the splines associated with the local nozzle wall slopes. Extensive calculations have been made (with a three-dimensional Euler code) to understand the effects of various parameters such as location of the knot points of the spline function, different ways of characterizing the uniformity of the flow in the exit plane, as well as the effect of constraining the area of the nozzle to be invariant. Turbulent flow (measurements indicate that the flow at the nozzle inlet is turbulent) calculations are now being performed (with the inviscidly designed nozzle contours) to assess the flow quality.

Krishnamurthy, Ramesh↗