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Results for “Design Methods and Validation”

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 127 records · Page 7

A transfer learning approach to energy-efficient control of small and medium-sized commercial buildings

Model-free reinforcement learning (RL) provides a data-driven and adaptive approach to optimize building energy use while satisfying occupant comfort. This powerful tool does not need any prior knowledge about the environment and system it is optimizing and can adapt its policy based on the changes in captures. Like any other data-driven tool, it faces high training costs due to the extensive agent-environment interactions required to capture long-term building dynamics and user comfort. Transfer learning, particularly policy distillation, offers a promising way to accelerate training by leveraging pretrained RL agents in different building and system types. Here, this study investigates online student distillation, in which the student model updates its neural network weights using outputs from teacher models. The work introduces a student distillation strategy designed for efficient knowledge transfer, along with a teacher selection method that ensures high-quality guidance. The approach is validated using a highly calibrated whole building energy model for a small/medium commercial building test facility. Results show substantial reductions in training time and data requirements while surpassing the performance of ASHRAE Guideline 36, an advanced rule-based control strategy. The distilled RL model required 45% less data and achieved 20% higher cumulative rewards than a state-of-the-art RL model, with faster convergence and lower energy consumption. These outcomes demonstrate that effective transfer learning enables a scalable and data-efficient energy management solution for commercial buildings.

ASHRAE guideline 36↗

Critical values of cyber parameters in a dynamic microgrid system

An islanded microgrid can be used to serve critcal load as a resiliency source when a severe outage occurs. In an islanded mode, control of a microgrid relies on the communication system significantly. Hence, microgrids are cyberphysical systems and, therefore, the cyber system plays a crucial role in the performance of the cyber-power system. A microgrid control scheme is proposed for power dispatch and regulation based on the droop and proportional-integral (PI) feedback control. The proposed control strategy is validated for transient stability following dynamic events. To evaluate the impact of a networked control system on control performance, a cyber model is developed to represent data acquisition periods and communication delays. An analytical method is proposed to determine the critical values for the data reporting periods and communication delays. The analytical method based on a state space model of a networked control system is applicable for large-scale systems. A 2-dimensional stability region of a microgrid in the space of cyber parameters can be obtained by the proposed method, and the critical values of cyber parameters are determined based on the stability region. Simulation results validate that the design of a microgrid as a cyber-physical system needs to be guided by critical values for the data reporting period and communication delay to prevent system instability.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Game-Theoretic Quantum Algorithm for Solving Magic Squares

Variational quantum algorithms (VQAs) offer a promising near-term approach to finding optimal quantum strategies for playing non-local games. These games test quantum correlations beyond classical limits and enable entanglement verification. In this work, we present a variational framework for the Magic Square Game (MSG), a two-player non-local game with perfect quantum advantage. We construct a value Hamiltonian that encodes the game’s parity and consistency constraints, then optimize parameterize quantum circuits to minimize this cost. Our approach build on the stabilizer formalism, leverages commutation structure for circuit design, and is hardware-efficient. Compared to existing work, our contribution emphasizes algebraic structure an interpretability. We validate our method through numerical experiments and outline generalizations to larger games.

Chehade, Sarah [ORNL]↗

FEM Analysis of Hybrid LTS/HTS Cos-Theta Dipole Magnet

After the recent results on Bi-2212 superconductive magnets realized and tested in canted cosine-theta and solenoid designs, respectively, at Lawrence Berkeley National Laboratory (LBNL) and NHMFL, the first Bi-2212 stress-managed cosine-theta insert magnet is in the assembly phase at Fermilab. This insert will be part of the first hybrid cosine-theta magnet made of Nb3Sn outer layers within the US-MDP effort to reach 20 T bore field. This paper reports the analytical analysis of the cosine-theta Nb3Sn/Bi-2212 hybrid magnet. As an introduction, it shows the validation of the finalized HTS coils' design optimized using the ROXIE code. Subsequently, it reports the parameters, logic, and implementation method of the 2D electromagnetic and mechanical FEM analysis of the LTS/HTS hybrid magnet. Results from the ANSYS detailed model made with sub-modeling geometry are compared with the homogeneous model implemented in the past. Moreover, a Python code was implemented to simulate the current degradation due to stresses in the detail-modeled conductor areas. The current degradation is introduced in the simulation dynamics for both conductors as an iteration process during the energization load step only after applying pre-stress and thermal loads. The numerical and graphic results of the 2D cosine-theta LTS/HTS magnet cross-section will be described and analyzed.

D'Agliano, A.↗

A Perspective on Traditional and Data Driven Electrochemical Modeling and Analysis

To understand the behavior of electrochemical systems, we need to reduce the dimensionality of the measured current-voltage-time (I-V-t) data by fitting models, thus enabling us to analyze and compare the governing physics. Traditionally, the process for this is an 'expert first' approach: defining the model and its explicit assumptions based on inductive reasoning or empirical observation, fitting small portions of the I-V-t data where assumptions are most valid or carefully designing experiments to enforce key assumptions, and then interpreting the model parameters. However, modern data-driven methods enable a new paradigm: a 'data first' approach, where the latent behaviors governing the system's measured response are identified directly using machine-learning models that optimize both model structure and parameters from the I-V-t data, guaranteeing that the learned model explains as much of the observed system response as possible. After model identification, the model can then be interrogated by an expert to connect observed behaviors with underlying physics. This talk will review several different types of electrochemical analysis (electrochemical impedance, differential voltage-capacity, electrochemical kinetics) and compare the traditional and data-driven methods for analyzing the data.

42 ENGINEERING↗

Combination of cluster number counts and two-point correlations: validation on mock Dark Energy Survey

ABSTRACT We present a method of combining cluster abundances and large-scale two-point correlations, namely galaxy clustering, galaxy–cluster cross-correlations, cluster autocorrelations, and cluster lensing. This data vector yields comparable cosmological constraints to traditional analyses that rely on small-scale cluster lensing for mass calibration. We use cosmological survey simulations designed to resemble the Dark Energy Survey Year 1 (DES-Y1) data to validate the analytical covariance matrix and the parameter inferences. The posterior distribution from the analysis of simulations is statistically consistent with the absence of systematic biases detectable at the precision of the DES-Y1 experiment. We compare the χ2 values in simulations to their expectation and find no significant difference. The robustness of our results against a variety of systematic effects is verified using a simulated likelihood analysis of DES-Y1-like data vectors. This work presents the first-ever end-to-end validation of a cluster abundance cosmological analysis on galaxy catalogue level simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

Integral Nuclear Data and Benchmarking Needs for Fusion Energy Systems

Fusion energy systems are currently being designed and optimized using radiation transport codes. To deal with the unique environment inside a fusion-based system, many of these designs incorporate novel materials able to withstand the high radiation fields, ensure adequate cooling and thermal protection, and produce tritium. Validation plays a vital role in building trust in the predictive power of these models and computational methods. Validation of a code consists of modeling documented real-world experiments and comparing the code-predicted response to the measured response. Adequate validation requires measured responses from real-world experiments, also known as integral data, that mimic the system being designed, including materials, impinging radiation, and temperature, among other variables. The most trusted integral data are experimental responses that have been through a rigorous benchmarking process that develops a recommended computational model and evaluates all experimental uncertainties. Finally, there are a few research groups around the world that have been producing integral data for fusion applications, but a substantial investment is needed to address the unique validation needs of the fusion community.

Fusion↗

Designing stellarators using perpendicular permanent magnets

We have developed a fast method to design perpendicular permanent magnets for simplifying stellarator coils based on existing codes. Coil complexity is one of the main challenges for stellarators. To date, only electromagnetic coils have been used to generate 3D fields for stellarators. Permanent magnets provide an alternative way to produce the desired magnetic field for optimized stellarators. In this paper, we revisit the concept of representing surface current using magnetic dipoles and carry out numerical validations. A surface magnetization is proven to be equivalent to the surface current that can be linearly solved by existing coil design codes. An incremental multi-layer method has been developed to obtain a practical solution that is attainable with present permanent magnets. With this method, we can reproduce a half-Tesla NCSX configuration using specially designed neodymium magnets together with simple planar coils. It shows that stellarator coils could be substantially simplified by adopting permanent magnets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Bayesian Component Separation for DESI LAE Automated Spectroscopic Redshifts and Photometric Targeting

Lyα emitters (LAEs) are valuable high-redshift cosmological probes traditionally identified using specialized narrowband photometric surveys. In ground-based spectroscopy, it can be difficult to distinguish the sharp LAE peak from residual sky emission lines using automated methods, leading to misclassified redshifts. We present a Bayesian spectral component separation technique to automatically determine spectroscopic redshifts for LAEs while marginalizing over sky residuals. We use visually inspected spectra of LAEs obtained using the Dark Energy Spectroscopic Instrument (DESI) to create a data-driven prior and can determine redshift by jointly inferring sky residual, LAE, and residual components for each individual spectrum. We demonstrate this method on 881 spectroscopically observed z = 2–4 DESI LAE candidate spectra and determine their redshifts with >90% accuracy when validated against visually inspected redshifts. Using the Δχ$^{2}$ value from our pipeline as a proxy for detection confidence, we then explore potential survey design choices and implications for targeting LAEs with medium-band photometry. This method allows for scalability and accuracy in determining redshifts from DESI spectra, and the results provide recommendations for LAE targeting in anticipation of future high-redshift spectroscopic surveys.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Development of a Reference Design for a Cyber-Physical System

The purpose of this thesis is to develop a reference design to assist in the selection of security practices in power electronics design. A prototype will be developed from this reference design for evaluation. This evaluation will include a brief cost/benefit analysis to gauge the efficacy of implementing each layer of security throughout the power electronics design process. This thesis will also describe the obstacles and effectiveness of integrating a Trusted Platform Module (TPM) into a cyber-hardened grid-connected device. The TPM device is a secured crypto processor that assists in generating, storing, and restricting the use of cryptographic keys. The emphasis of this research is to establish integrity, authenticity, and confidentiality within a system by providing a baseline of security concerns for segments of the system. This research considers communication, control, and hardware level securities. The scope of this thesis will review the necessary security methods as well as consider the effects these methods have on the embedded system, to assess the desired security to responsiveness trade off. Applying this approach to a design process will alleviate various unknowns of appending security to a power electronics design. This thesis describes the specific vulnerabilities introduced within this grid-edge environment, and how the liabilities within the system can be mitigated. Initially, common security techniques will be considered to establish a guideline to benchmark performance and resource costs of the system. The foundation will be a non-hardened power electronic system platform with industry standard communication protocols. Several security techniques and attack vectors will then be evaluated to contribute to the base level platform. Other fail-safe features take place to gauge progress of the selected approach, non-inclusive to the TPM. Collectively, this investigation will determine a valid experiment by appraising and categorizing resource allocation, performance overhead, and monetary cost analysis results into a reference design. The prototype will then demonstrate methods to relieve common threats that are purposefully implemented into the design.

Blair, Nicholas Paul↗

Network Uncertainty Quantification for Analysis of Multi-Component Systems

To impact physical mechanical system design decisions and realize the full promise of high-fidelity computational tools, simulation results must be integrated at the earliest stages of the design process. This is particularly challenging when dealing with uncertainty and optimizing for system-level performance metrics, as full-system models (often notoriously expensive and time-consuming to develop) are generally required to propagate uncertainties to system-level quantities of interest. Methods for propagating parameter and boundary condition uncertainty in networks of interconnected components hold promise for enabling design under uncertainty in real-world applications. These methods avoid the need for time consuming mesh generation of full-system geometries when changes are made to components or subassemblies. Additionally, they explicitly tie full-system model predictions to component/subassembly validation data which is valuable for qualification. These methods work by leveraging the fact that many engineered systems are inherently modular, being comprised of a hierarchy of components and subassemblies that are individually modified or replaced to define new system designs. By doing so, these methods enable rapid model development and the incorporation of uncertainty quantification earlier in the design process. The resulting formulation of the uncertainty propagation problem is iterative. We express the system model as a network of interconnected component models, which exchange solution information at component boundaries. We present a pair of approaches for propagating uncertainty in this type of decomposed system and provide implementations in the form of an open-source software library. We demonstrate these tools on a variety of applications and demonstrate the impact of problem-specific details on the performance and accuracy of the resulting UQ analysis. This work represents the most comprehensive investigation of these network uncertainty propagation methods to date.

42 ENGINEERING↗

Crystal Prediction and Design of Tunable Light Emission in BTB–Based Metal–Organic Frameworks

Metal-organic frameworks (MOFs) have recently been shown to exhibit unique mechanisms of luminescence based on charge transfer between structural units in the framework. These MOFs have the potential to be structural tuned for targeted emission with little or no metal participation. Here a computationally led, material design and synthesis methodology is presented that elucidates the mechanisms of light emission in interpenetrated structures comprised of metal centers (M = In, Ga, InGa, InEu) and BTB (1,3,5-Tris(4-carboxyphenyl)benzene) linkers, forming unique luminescent M-BTB MOF frameworks. Gas phase and periodic electronic structure calculations indicate that the intensity of the emission and the wavelength are overwhelmingly controlled by a combination of the number of interacting stacked linkers and their interatomic spacings, respectively. In the MOF, the ionic radii of the metal centers primarily control the expansion or shrinkage of the linker stacking distances. Experimentally, multiple M-BTB-based MOFs are synthesized and their photoluminescence was tested. Experiments validated the modeling by confirming that shifts in the crystal structure result in variations in light emission. Through this material design method, the mechanisms of tuning luminescence properties in interpenetrated M-BTB MOFs have been identified and applied to the design of MOFs with specific wavelength emission based on their structure.

36 MATERIALS SCIENCE↗

Proton discrimination in CLYC for fast neutron spectroscopy

The Cs 2 LiYCl 6 :Ce (CLYC) elpasolite scintillator is known for its response to fast and thermal neutrons along with good γ-ray energy resolution. While the 35 Cl(n,p) reaction has been identified as a potential means for CLYC-based fast neutron spectroscopy in the absence of time-of-flight (TOF), previous efforts to functionalize CLYC as a fast neutron spectrometer have been thwarted by the inability to isolate proton interactions from 6 Li(n,α) and 35 Cl(n,α) signals. This work introduces a new approach to particle discrimination in CLYC for fission spectrum neutrons using a multi-gate charge integration algorithm that provides excellent separation between protons and heavier charged particles. Neutron TOF data were collected using a 252 Cf source, an array of EJ-309 organic liquid scintillators, and a 6 Li-enriched CLYC scintillator outfitted with fast electronics. Modal waveforms were constructed corresponding to the different reaction channels, revealing significant differences in the pulse characteristics of protons and heavier charged particles at ultrafast, fast, and intermediate time scales. These findings informed the design of a pulse shape discrimination algorithm, which was validated using the TOF data. This study also proposes an iterative subtraction method to mitigate contributions from confounding reaction channels in proton and heavier charged particle pulse height spectra, opening the door for CLYC-based fast neutron and γ-ray spectroscopy while preserving sensitivity to thermal neutron capture signals.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

$\mathrm{CROPSR}$: an automated platform for complex genome-wide $\mathrm{CRISPR}$ g$\mathrm{RNA}$ design and validation

CRISPR/Cas9 technology has become an important tool to generate targeted, highly specific genome mutations. The technology has great potential for crop improvement, as crop genomes are tailored to optimize specific traits over generations of breeding. Many crops have highly complex and polyploid genomes, particularly those used for bioenergy or bioproducts. The majority of tools currently available for designing and evaluating gRNAs for CRISPR experiments were developed based on mammalian genomes that do not share the characteristics or design criteria for crop genomes. We have developed an open source tool for genome-wide design and evaluation of gRNA sequences for CRISPR experiments, CROPSR. The genome-wide approach provides a significant decrease in the time required to design a CRISPR experiment, including validation through PCR, at the expense of an overhead compute time required once per genome, at the first run. To better cater to the needs of crop geneticists, restrictions imposed by other packages on design and evaluation of gRNA sequences were lifted. A new machine learning model was developed to provide scores while avoiding situations in which the currently available tools sometimes failed to provide guides for repetitive, A/T-rich genomic regions. We show that our gRNA scoring model provides a significant increase in prediction accuracy over existing tools, even in non-crop genomes. CROPSR provides the scientific community with new methods and a new workflow for performing CRISPR/Cas9 knockout experiments. CROPSR reduces the challenges of working in crops, and helps speed gRNA sequence design, evaluation and validation. We hope that the new software will accelerate discovery and reduce the number of failed experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

HelioScope Energy Performance Modeling Validation: Cooperative Research and Development Final Report, CRADA Number CRD-17-00685

HelioScope is a unique solar design and energy performance modeling tool that bridges the worlds of research and industry, bringing the most rigorous methods from the performance modeling community to thousands of solar developers of all backgrounds. However, many financial institutions and municipalities are hesitant to accept the energy production modeling results of HelioScope (including shading losses) in place of costly, time-intensive, and/or redundant methods due to lack of vetting from a respected institution like NREL. We expect that the proposed validation exercises will give municipalities and financial institutions the comfort needed to incorporate HelioScope into their operations, thereby significantly reducing the needs of existing and potential HelioScope users' to otherwise obtain information that HelioScope produces automatically. Folsom Labs was selected for a Small Business Voucher from the U.S. Department of Energy for the National Renewable Energy Laboratory to validate the performance of HelioScope’s simulation engine against measured PV system performance.

14 SOLAR ENERGY↗

Parametrically designed surface topography on CAD models of additively manufactured lattice structures for improved design validation

Additively Manufactured (AM) lattice structures of the laser powder bed fusion (LPBF) process generally have different surface geometries depending on the overhang angle and location. This means that the design validation stage is often challenging, considering it is based on an ideal Computer Aided Design (CAD) model that is not truly representative, since the AM part will be different in terms of dimensional accuracy and surface finish. Previous studies have relied on the design of surface textures that are independent of the overhang angle, or techniques based on directly using X-ray Computed Tomography (XCT) data. In this paper, a new technique for designing surface texture on the CAD of lattices has been investigated and correlated with areal surface roughness parameters. After extracting areal surface parameters from the XCT data of the lattice, the method allowed for the design of this surface texture on the part CAD taking in consideration if its up skin or down skin, without using XCT data as the main input. By applying this method, it is possible to obtain a lattice CAD model with a designed surface texture and geometry that is more representative of the actual AM lattice. The mean deviation between the CAD model with the designed surface and the XCT was a third of the one between the XCT and the initial CAD. The proposed method allows for designing and replicating LPBF AM surfaces on the CAD of a lattice, taking into consideration the dimensional deviation caused by AM surfaces, especially on overhangs. Assuming that an LPBF AM process is stable and produces approximately the same AM surface, this method can be used to predict the geometry of a lattice, providing a cost-effective and efficient methodology that minimizes the time needed for design validation.

42 ENGINEERING↗

Comparing the effect of virtual and in-person instruction on students’ performance in a design for additive manufacturing learning activity

The goal of this work is to compare the outcome of a design for additive manufacturing (DfAM) heuristics lesson conducted in a virtual learning environment to the same in an in-person learning environment. Prior work revealed that receiving DfAM heuristics at different points in the design process impacts the quality and novelty of designs produced afterward, but this work may have been limited by the solely virtual format. In this work, an identical experiment was performed in a face-to-face learning environment. Results indicate that neither learning format presents an advantage over the other when it comes to the quality of designs produced during the intervention. Participants across all experimental groups reported an increase in self-efficacy after the intervention, with improved performance on quiz-type questions. Furthermore, the novelty and variety of the designs produced by the in-person experimental groups were significantly lower than that of the virtual experimental groups. In addition to validating the effectiveness of virtual instruction as a teaching method, these results also support the authors’ hypothesis that the priming effect is stronger in an in-person classroom than in a virtual classroom.

Design for additive manufacturing↗

Structure- and Interaction-Based Design of Anti-SARS-CoV-2 Aptamers

Aptamer selection against novel infections is a complicated and time-consuming approach. Synergy can be achieved by using computational methods together with experimental procedures. In this study, we aim to develop a reliable methodology for a rational aptamer in silico et vitro design. The new approach combines multiple steps: (1) Molecular design, based on screening in a DNA aptamer library and directed mutagenesis to fit the protein tertiary structure; (2) 3D molecular modeling of the target; (3) Molecular docking of an aptamer with the protein; (4) Molecular dynamics (MD) simulations of the complexes; (5) Quantum-mechanical (QM) evaluation of the interactions between aptamer and target with further analysis; (6) Experimental verification at each cycle for structure and binding affinity by using small-angle X-ray scattering, cytometry, and fluorescence polarization. By using a new iterative design procedure, structure- and interaction-based drug design (SIBDD), a highly specific aptamer to the receptor-binding domain of the SARS-CoV-2 spike protein, was developed and validated. The SIBDD approach enhances speed of the high-affinity aptamers development from scratch, using a target protein structure. The method could be used to improve existing aptamers for stronger binding. This approach brings to an advanced level the development of novel affinity probes, functional nucleic acids. It offers a blueprint for the straightforward design of targeting molecules for new pathogen agents and emerging variants.

60 APPLIED LIFE SCIENCES↗