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All sources NASA NTRS DOE OSTI

DOE OSTI2023

Optimize electron beam energy toward in-situ imaging of large thick bio-samples with nanometer resolution

To optimize electron energy toward in-situ imaging large bio-samples up to 10-μm thickness with nanoscale resolution, we implemented an analytical model based on elastic and inelastic characteristic angles 1. This model can be used to predict the transverse beam size broadening as a function of electron energy while the probe beam traverses through the sample. As result, the optimal choice of the electron beam energy can be realized. While the sample thickness is less than 10 μm, there exists an optimal electron beam energy below 10 MeV regarding a specific sample thickness. However, for samples thicker than 10 μm, the optimal beam energy is 10 MeV, and the ultimate resolution could become worse with the increase of the sample thickness.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Insights into Methodologies and Stochastic Optimization of Thermal Energy Storage-Coupled Advanced Reactor Systems: A Comparison of Methods for Accessing Long-Term Sub-System Sizing Adequacy

This paper investigates the potential of coupling Thermal Energy Storage (TES) with Advanced Reactors (ARs) to address uncertainties posed by climate change in deep decarbonized power systems. The TES Use-case Team at Idaho National Laboratory (INL) has examined the potential of storing thermal energy from ARs during low demand periods and optimizing discharge during peak-priced hours, in both steady-state and transient conditions. Building on this groundwork, this study bridges the gaps in optimal sizing of the sub-system of TES-coupled AR systems using Risk Analysis Virtual Environment (RAVEN) and Holistic Energy Resource Optimization Network (HERON), INL?s framework for grid optimization. By applying this framework, we present statistically-robust optimal charge, discharge including balance of plant (BOP), and storage sizing for the High-Temperature Gas-Cooled Reactor (HTGR) with 203 MWth output. To this end, we generated synthetic price samples for 30 years using 2018 ? 2021 real-time market data from ERCOT, PJM and MISO. Our results reveals that the TES-coupled HTGR system is highly effective in maximizing revenue from electricity sales. We observed a substantial increase of 40 % in ERCOT and a noteworthy 15 % increase in PJM and MISO when compared to the conventional BOP without TES. This improvement is achieved through regionally-tailored sub-system sizing, which ranges from 398 to 416 MWth for the discharge system and 610 to 1029 MWth for the TES. We find that the average electricity price directly impacts the overall economics, while price volatility influences storage size. Additional sensitivity analyses were performed to access the impact of key assumptions on system economics and sizing, differentiating the optimization window (i.e., 24 ? 219 hours of chronological observations) and by imposing storage continuity condition in tracking TES cycles. We observed that at the 120-hour of the optimization window, a reasonable balance between computation time and accuracy was achieved. Our analysis also highlights the significance of conducting multi-day cycle analysis (> 120-hour) for TES to capture interaction between electricity prices and storage dynamics, providing a comprehensive understanding of TES behavior that AR developers should integrate into their plant designs.

25 ENERGY STORAGE↗

DOE OSTI2020

DER Planning with Resilience Analysis Using REopt Lite: A Behind-the-Meter Techno-Economic Analysis Tool

REopt Lite is a techno-economic decision support model for behind-the-meter energy systems design and dispatch modeling. REopt Lite is used to optimize energy systems for buildings, campuses, communities, and microgrids. It is based on a Mixed Integer Linear Programming (MILP) optimization model. It is a fully automated and streamlined energy modeling tool that can be used off-the-shelf for a wide variety of distributed generation integration analyses and at the same time is architected to be extensible for user-specific customizations for advanced users and subject matter experts. It is publicly available as a webtool as well as has an Application Programming Interface (API). The API functionality enables programmatic access to the model facilitating smooth integration with other distribution systems modeling tools, and automated multiple scenarios/sensitivity studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Thrust-optimized blade design for wind turbines

A wind rotor is disclosed that produces energy optimally for a given thrust overturning moment. By designing rotors with suboptimal aerodynamic efficiency, they can have optimal thrust performance, which will reduce the substructure cost and/or enable greater energy capture for a given substructure.

17 WIND ENERGY↗

NASA NTRS2012

Optimal Force Control of Vibro-Impact Systems for Autonomous Drilling Applications

The need to maintain optimal energy efficiency is critical during the drilling operations performed on future and current planetary rover missions (see figure). Specifically, this innovation seeks to solve the following problem. Given a spring-loaded percussive drill driven by a voice-coil motor, one needs to determine the optimal input voltage waveform (periodic function) and the optimal hammering period that minimizes the dissipated energy, while ensuring that the hammer-to-rock impacts are made with sufficient (user-defined) impact velocity (or impact energy). To solve this problem, it was first observed that when voice-coil-actuated percussive drills are driven at high power, it is of paramount importance to ensure that the electrical current of the device remains in phase with the velocity of the hammer. Otherwise, negative work is performed and the drill experiences a loss of performance (i.e., reduced impact energy) and an increase in Joule heating (i.e., reduction in energy efficiency). This observation has motivated many drilling products to incorporate the standard bang-bang control approach for driving their percussive drills. However, the bang-bang control approach is significantly less efficient than the optimal energy-efficient control approach solved herein. To obtain this solution, the standard tools of classical optimal control theory were applied. It is worth noting that these tools inherently require the solution of a two-point boundary value problem (TPBVP), i.e., a system of differential equations where half the equations have unknown boundary conditions. Typically, the TPBVP is impossible to solve analytically for high-dimensional dynamic systems. However, for the case of the spring-loaded vibro-impactor, this approach yields the exact optimal control solution as the sum of four analytic functions whose coefficients are determined using a simple, easy-to-implement algorithm. Once the optimal control waveform is determined, it can be used optimally in the context of both open-loop and closed-loop control modes (using standard realtime control hardware).

Aldrich, Jack B.↗

DOE OSTI2021

Method and apparatus for shape-based energy analysis of solids

A computer-readable medium stores instructions including storing a model of a physical structure and defining a mesh for the model. The mesh includes finite elements, each defined by a respective set of edges. The instructions include, for each finite element, identifying a governing differential equation and a set of complementary functions that exactly satisfy the governing differential equation. The instructions include determining an applied physical stimulus for the physical structure. The instructions include generating an energy optimization model that minimizes a difference between internal energy and external energy of the finite elements in response to the applied physical stimulus. The model includes a matrix of respective scalar multipliers for the complementary functions for each finite element. The instructions include transforming the matrix and calculating a physical parameter of interest. The instructions include, in response to the physical parameter not satisfying a design parameter, updating the model of the physical structure.

Spears, Robert E.↗

DOE OSTI2024

WIP: Collaborating to Introduce Second-Life Battery Technology Research in an Informal STEM Learning Environment

This work in progress, innovative practice, paper outlines an interdisciplinary collaborative model utilized by a team of educational researchers, and engineers to design a series of community-centered, place-based learning activities suitable for a middle or high school informal STEM learning environment. Based on the potential applications and benefits of Second-Life Electric Vehicle Batteries, the activities connect cutting-edge STEM research with multidimensional real-world challenges within their communities related to climate change, renewable energy integration and storage, intelligent transportation systems, and optimized energy management, that empowers students to think critically about the role they can play in shaping a more resilient, environmentally sustainable community.

Whiteside, Hope↗

DOE OSTI2026

Computational Science at the National Laboratory of the Rockies

Computational methods underpin advancing the science and engineering of energy technologies and developing a knowledge base to optimize energy systems. NLR's Computational Science Center (CSC) proudly focuses on providing the service of computing, advancing the science of computing, and enabling DOE missions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Extended Fayans energy density functional: optimization and analysis

The Fayans energy density functional (EDF) has been very successful in describing global nuclear properties (binding energies, charge radii, and especially differences of radii) within nuclear density functional theory. In a recent study, supervised machine learning methods were used to calibrate the Fayans EDF. Building on this experience, in this work we explore the effect of adding isovector pairing terms, which are responsible for different proton and neutron pairing fields, by comparing a 13D model without the isovector pairing term against the extended 14D model. At the heart of the calibration is a carefully selected heterogeneous dataset of experimental observables representing ground-state properties of spherical even–even nuclei. To quantify the impact of the calibration dataset on model parameters and the importance of the new terms, we carry out advanced sensitivity and correlation analysis on both models. The extension to 14D improves the overall quality of the model by about 30%. The enhanced degrees of freedom of the 14D model reduce correlations between model parameters and enhance sensitivity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Integrating an Ensemble Reward System into an Off-Policy Reinforcement Learning Algorithm for the Economic Dispatch of Small Modular Reactor-Based Energy Systems

Nuclear Integrated Energy Systems (NIES) have emerged as a comprehensive solution for navigating the changing energy landscape. They combine nuclear power plants with renewable energy sources, storage systems, and smart grid technologies to optimize energy production, distribution, and consumption across sectors, improving efficiency, reliability, and sustainability while addressing challenges associated with variability. The integration of Small Modular Reactors (SMRs) in NIES offers significant benefits over traditional nuclear facilities, although transferring involves overcoming legal and operational barriers, particularly in economic dispatch. This study proposes a novel off-policy Reinforcement Learning (RL) approach with an ensemble reward system to optimize economic dispatch for nuclear-powered generation companies equipped with an SMR, demonstrating superior accuracy and efficiency when compared to conventional methods and emphasizing RL’s potential to improve NIES profitability and sustainability. Finally, the research attempts to demonstrate the viability of implementing the proposed integrated RL approach in spot energy markets to maximize profits for nuclear-driven generation companies, establishing NIES’ profitability over competitors that rely on fossil fuel-based generation units to meet baseload requirements.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Optimize Electron Beam Energy toward In Situ Imaging of Thick Frozen Bio-Samples with Nanometer Resolution Using MeV-STEM

To optimize electron energy for in situ imaging of large biological samples up to 10 μm in thickness with nanoscale resolutions, we implemented an analytical model based on elastic and inelastic characteristic angles. This model has been benchmarked by Monte Carlo simulations and can be used to predict the transverse beam size broadening as a function of electron energy while the probe beam traverses through the sample. As a result, the optimal choice of the electron beam energy can be realized. In addition, the impact of the dose-limited resolution was analysed. While the sample thickness is less than 10 μm, there exists an optimal electron beam energy below 10 MeV regarding a specific sample thickness. However, for samples thicker than 10 μm, the optimal beam energy is 10 MeV or higher depending on the sample thickness, and the ultimate resolution could become worse with the increase in the sample thickness. Moreover, a MeV-STEM column based on a two-stage lens system can be applied to reduce the beam size from one micron at aperture to one nanometre at the sample with the energy tuning range from 3 to 10 MeV. In conjunction with the state-of-the-art ultralow emittance electron source that we recently implemented, the maximum size of an electron beam when it traverses through an up to 10 μm thick bio-sample can be kept less than 10 nm . This is a critical step toward the in situ imaging of large, thick biological samples with nanometer resolution.

36 MATERIALS SCIENCE↗

DOE OSTI2020

A Guide to Energy Master Planning of High-Performance Districts and Communities

This guide was developed with partners throughout the United States to demonstrate how implementing district-scale high-performance strategies can be successful and scalable approaches to achieving deep energy savings that increase affordability, improve resilience, reduce emissions, and foster economic development. This document serves as a framework for districts, campuses, and communities, illustrating an iterative process of building support for, planning, and implementing high-performance districts by engaging stakeholders, setting aggressive energy goals, completing technical and financial planning, and implementing a high-performance energy master plan. The information in this guide is based on a 3-year U.S. Department of Energy Zero Energy District Accelerator and a range of real-world examples of emerging high-performance districts. It is particularly useful for architects, planners, engineers, local government agencies, and real estate developers in the early phases of planning a district with high-performance or other deep energy goals. For the purposes of this guide, a high-performance district is a multibuilding development that achieves aggressive energy and related goals such as zero energy, carbon neutrality, sustainability, ultra-efficiency, etc. High-performance districts optimize energy efficiency to reduce energy loads and use renewable energy resources to meet the remaining loads whenever possible. The Energy Independence and Security Act of 2007 defines a high-performance building as “a building that integrates and optimizes on a life cycle basis all major high-performance attributes, including energy conservation, environment, safety, security, durability, accessibility, cost-benefit, productivity, sustainability, functionality, and operational considerations.” High-performance districts are collections of such buildings that take advantage of the synergies available when energy consumption and production are considered at a district level rather than one building at a time.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Recent progress in global optimizations of covariant energy density functionals

The recent progress on global optimizations of covariant energy density functionals (CEDFs) and global calculations of binding energies within the covariant density functional theory (CDFT) has been analyzed and reviewed. Recently developed anchor-based optimization approach of Ref. [1] allows global optimizations of CEDFs at a reasonable numerical cost. Moreover, it permits such optimizations in a very large fermionic basis with a proper extrapolation to an infinite one. This allows to accurately estimate global calculation errors due to use of truncated fermionic basis and neglect of some contributions to binding energies (such as total electron binding energy).

Afanasjev, A. V. [Mississippi State University, MS↗

DOE OSTI2026

Benchmarking quantum trial wavefunctions for phaseless auxiliary-field quantum Monte Carlo

The phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) method is a stochastic imaginary-time projection technique for computing ground-state properties of strongly correlated quantum systems, with accuracy that depends critically on the choice of trial wavefunction. Here, we investigate ph-AFQMC with trial states prepared using parameterized quantum circuits. In this work, we present a comprehensive benchmarking study of quantum trial wavefunctions spanning unitary coupled-cluster, Hamiltonian-informed, Jastrow-inspired, and adaptively constructed ansatze. The benchmarking evaluates accuracy, expressibility, and scalability of these ansatze within the QC-AFQMC framework. We test these ansatze on linear hydrogen chains under bond stretching and find that several ansatz families produce chemically accurate ph-AFQMC energies across the dissociation curve. We have performed simulations using the CUDA-Q quantum development platform on the GPU partition of the Perlmutter supercomputer. When comparing ansatze at similar numbers of variational parameters, we find that different ansatz families yield comparable ph-AFQMC results despite exhibiting substantially different variational energies, optimization costs, and circuit depths. Our results indicate that the variational energy of an ansatz is not always a reliable indicator of its quality for ph-AFQMC and reveal instances of over-parameterization. In the strongly correlated regime, trial wavefunctions obtained from adaptive ansatze, exemplified here by ADAPT-VQE with the UCCSD operator pool, can outperform their fixed-ansatz counterparts (UCCSD) in terms of projected energies while using substantially more compact circuits, providing a flexible route to optimize quantum resources within the ph-AFQMC framework.

Rofougaran, Rod [LBNL, Berkeley; Columbia U.; PNL,↗

NASA NTRS1976

On signal design by the R sub 0 criterion for non-white Gaussian noise channels

The use of the R sub 0 criterion for modulation system design is investigated for channels with non-white Gaussian noise. A signal space representation of the waveform channel is developed, and the cut-off rate R sub 0 for vector channels with additive nonwhite Gaussian noise and unquantized demodulation is derived. When the signal unput to the channel is a continuous random vector, maximization of R sub 0 with constrained average signal energy leads to a water-filling interpretation of optimal energy distribution in signal space. The necessary condition for a finite signal set to maximize R sub 0 with constrained energy and an equally likely probability assignment of signal vectors is presented, and an algorithm is outlined for numerically computing the optimum signal set. A necessary condition on a constrained energy, finite signal set is found which maximizes a Taylor series approximation of R sub 0. This signal set is compared with the finite signal set which has the water-filling average energy distribution.

Bordelon, D. L.↗

NASA NTRS1977

On signal design by the R/0/ criterion for non-white Gaussian noise channels

The use of the cut-off rate criterion for modulation system design is investigated for channels with non-white Gaussian noise. A signal space representation of the waveform channel is developed, and the cut-off rate for vector channels with additive non-white Gaussian noise and unquantized demodulation is derived. When the signal input to the channel is a continuous random vector, maximization of the cut-off rate with constrained average signal energy leads to a water-filling interpretation of optimal energy distribution in signal space. The necessary condition for a finite signal set to maximize the cut-off rate with constrained energy and an equally likely probability assignment of signal vectors is presented, and an algorithm is outlined for numerically computing the optimum signal set. As an example, the rectangular signal set which has the water-filling average energy distribution and the optimum rectangular set are compared.

Bordelon, D. L.↗

NASA NTRS1977

Optimal low-thrust takeoff from an orbit about an oblate planet

Future space missions to the outer planets may depend upon the use of low-thrust propulsion systems. As these planets are decidedly oblate, the question of the effect of that oblateness on a low-thrust trajectory is of some interest. In this paper the problem of optimal energy increase is attacked under the assumption that the coefficients for the second zonal harmonic, and the nondimensional thrust acceleration are the same order of magnitude. By means of a two-variable asymptotic expansion technique, a near optimal control program is generated and the first-order uniformly valid approximation for the corresponding trajectory is obtained. Tangential thrust is shown to be a good near-optimal thrust program even in the presence of oblateness effects. The optimal control program is found to be oscillatory and quite similar to the optimal control for energy increase in an inverse square gravitational field.

Jacobson, R. A.↗

DOE OSTI2026

Optimization of an Energy Tuning Assembly for High Explosives Detection

The Portable Isotopic Neutron Spectroscopy (PINS) system, employs neutron-induced gamma-ray spectroscopy and provides a nondestructive method for high explosives detection. In standard operation it uses Californium-252 as a neutron source. Operating PINS with a deuterium-tritium (DT) neutron generator has some advantages over Cf-252, including lifetime and ability to produce high-energy inelastic scattering gamma rays. However, current systems using DT neutron generators suffer from a high environmental background and reduced ability to induce neutron capture, reducing spectral quality and limiting nitrogen sensitivity. Here, this study presents the development of an energy-tuning assembly (ETA) designed to optimize the DT neutron energy spectrum to increase nitrogen reaction rates in a target, thereby improving high explosive detection capabilities. A metaheuristic optimization framework, MultiGNOWEE, coupled with MCNP, was employed to generate two ETA configurations: a single-objective ETA, which maximizes nitrogen capture reactions, and a multi-objective ETA, which balances neutron capture and inelastic scattering. Simulations demonstrated the optimized configurations achieved up to a 10-fold improvement in nitrogen capture rates compared to the bare configuration. Experimental validation was conducted using a DT neutron generator and a high-purity germanium (HPGe) detector. Two prototype ETAs were constructed and assessed on a melamine simulant. Measurements demonstrated improved nitrogen detection for both prototype ETA configurations when compared to the standard system.

97 MATHEMATICS AND COMPUTING↗