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At least 451 records · Page 25

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Virtual Volumetric Additive Manufacturing (VirtualVAM)

Abstract Tomographic volumetric additive manufacturing (VAM) produces arbitrary 3D geometries by exposure of a rotating volume of photopolymer resin to tomographically‐patterned illumination. This enables high speed, layer‐less printing of parts from a wide range of photopolymers not amenable to layer‐by‐layer processes. Since the entire geometry is produced at once over the course of a few seconds to minutes, molecular diffusion length scales become significant to the printing process. Understanding these molecular reaction and diffusion processes is imperative for advancing VAM to a usable technology. These processes are experimentally very difficult to monitor and measure. Herein, VirtualVAM ‐ a simulation framework for modeling the tomographic VAM process, is developed and experimentally validated. VirtualVAM simulates reaction, diffusion, and heat generation processes over the course of a print with single‐voxel resolution. From a few experimentally‐determined input parameters and a set of images for projection, VirtualVAM is able to generate a large spatio‐temporal data set for any given tomographic VAM print. Using VirtualVAM, a number of experimentally‐unattainable aspects of the VAM process are investigated such as single‐voxel conversion profiles, effect of molecular oxygen, and stopping time determination. VirtualVAM also enables the optimization of exposure patterns to further improve contrast between in‐part and out‐of‐part delivered dose.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Parametric and sensitivity analysis of a PCM-integrated wall for optimal thermal load modulation in lightweight buildings

Load modulation in buildings is becoming increasingly important due to growing disparity in energy demand during peak and off-peak hours. Integrating phase change material (PCM) in building envelopes and using a controlled precooling strategy can provide substantial thermal load modulation; however, it may greatly increase the total energy use. Previous studies have employed PCM in building envelopes primarily for energy savings and, to some extent, peak load shedding and shifting. However, the load modulation capacity of a PCM-integrated envelope has not been well explored in the literature. In this study, we perform an extensive parametric and sensitivity analysis on PCM-integrated lightweight building walls and examine the combinatory effects of various PCM parameters on thermal load modulation and wall-related heat gains in buildings. Using numerical simulations, we investigate eight PCM parameters: PCM location in the wall, transition temperature, thickness, latent heat, transition range, density, specific heat, and thermal conductivity. Here, we evaluate their impact and relative importance to achieve maximum load modulation in buildings without compromising occupants’ thermal comfort or total energy use. The results show that the optimized PCM proposed in this study can completely invert the transient heat gain profile of the wall, providing up to 70% reduction of wall-related heat gain during peak hours without a major increase in the cumulative heat gain.

42 ENGINEERING↗

DOE OSTI2019

Simulating Dynamic Roots in the Energy Exascale Earth System Land Model

Abstract Roots are important contributors to plant development, functioning to provide nutrients and water for plant growth. However, roots and their functions are often simplified in Earth system models, which limit the feedback of root foraging strategy on plant productivity, and their impacts on the carbon cycle. The goal of this study is to introduce a new method to resolve the vertical structure of roots over time. The method allows plasticity of rooting depth distribution under nonuniform profiles of water and nitrogen, which influences aboveground dynamics. The dynamic root model optimizes root distribution for both water and nitrogen uptake but gives priority to plant water demands. I implement this new method in the Energy Exascale Earth System model. The resulting root distribution maintains agreement with observations in most ecosystems and marginally improves the gross primary productivity estimated by the model, compared to satellite observations. Increases in gross primary productivity are simulated in desert and boreal ecosystems. However, the model does not capture deep roots in the dry tropics, and therefore, productivity losses are observed in parts of the Amazon and the African savannah. I discuss details of the model algorithm, along with some sensitivity studies that shed light on the model behavior in water‐limited ecosystems. The study shows that additional model processes, such as climate dependent root depth, root hydraulics, root form and function, and better nitrogen uptake, should be considered to improve the root water uptake in the Energy Exascale Earth System Land Model (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

The regulatory and transcriptional landscape associated with carbon utilization in a filamentous fungus

Filamentous fungi, such as Neurospora crassa , are very efficient in deconstructing plant biomass by the secretion of an arsenal of plant cell wall-degrading enzymes, by remodeling metabolism to accommodate production of secreted enzymes, and by enabling transport and intracellular utilization of plant biomass components. Although a number of enzymes and transcriptional regulators involved in plant biomass utilization have been identified, how filamentous fungi sense and integrate nutritional information encoded in the plant cell wall into a regulatory hierarchy for optimal utilization of complex carbon sources is not understood. Here, we performed transcriptional profiling of N. crassa on 40 different carbon sources, including plant biomass, to provide data on how fungi sense simple to complex carbohydrates. From these data, we identified regulatory factors in N. crassa and characterized one (PDR-2) associated with pectin utilization and one with pectin/hemicellulose utilization (ARA-1). Using in vitro DNA affinity purification sequencing (DAP-seq), we identified direct targets of transcription factors involved in regulating genes encoding plant cell wall-degrading enzymes. In particular, our data clarified the role of the transcription factor VIB-1 in the regulation of genes encoding plant cell wall-degrading enzymes and nutrient scavenging and revealed a major role of the carbon catabolite repressor CRE-1 in regulating the expression of major facilitator transporter genes. These data contribute to a more complete understanding of cross talk between transcription factors and their target genes, which are involved in regulating nutrient sensing and plant biomass utilization on a global level.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Control of core–shell nanoparticles properties through plasma synthesis: a computational study

The improved properties of core–shell nanoparticles (CSNPs) over homogeneous nanoparticles (NPs) have expanded and diversified the applications of these nanomaterials. However, controlling the properties of CSNPs can be a challenging task. Low temperature plasmas have proven to be an effective method of producing NPs with uniform size and morphology, and high yield. That said, NP transport and growth dynamics are sensitive to LTP properties. We report on a computational investigation of the evolution of Ge–Si CSNP properties as a function of operating conditions through the modeling of a flowing, two-zone inductively coupled plasma (ICP) reactor. Ar/GeH 4 and Ar/SiH 4 gas mixtures were supplied to separate plasma zones at a pressure of 1 Torr to promote growth of Ge cores and Si shells. The negatively charged CSNPs are trapped electrostatically in the vicinity of the antennas where the plasma is generated and where the majority of particle growth occurs. Particles that grow to a critical size are then de-trapped by fluid drag due to neutral gas flow. A two-dimensional hybrid plasma model coupled with a three-dimensional kinetic NP transport model were utilized to resolve plasma chemistry and NP growth processes that take place on distinct timescales. The trends in CSNP properties and trapping mechanisms associated with flow rate, applied ICP power and inlet precursor fraction are discussed. While the spatial distribution of plasma produced radical species can have significant impact on the NP growth process, the NP transport dynamics are what ultimately dictates the growth environment that is unique to each particle and so determines their final dimension and composition. The key to optimizing reactor conditions involves controlling the spatial density of growth species and plasma profile as a means to tailor particle trapping dynamics suitable to produce CSNPs for a specific application.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Reducing Communication Overhead in Federated Learning for Network Anomaly Detection with Adaptive Client Selection

Communication overhead in federated learning (FL) poses a significant challenge for network anomaly detection systems, where the myriad of client configurations and network conditions can severely impact system efficiency and detection accuracy. While existing approaches attempt to address this through individual optimization techniques, they often fail to maintain the delicate balance between reduced overhead and detection performance. This paper presents an adaptive FL framework that dynamically combines batch size optimization, client selection, and asynchronous updates to achieve efficient anomaly detection. Through extensive profiling and experimental analysis on two distinct datasets-UNSW-NBIS for general network traffic and ROAD for automotive networks-our framework reduces communication overhead by 97.6%; (from 700.0s to 16.8s) compared to synchronous baseline approaches while maintaining comparable detection accuracy (95.10%; vs. 95.12%;). Statistical validation using Mann-Whitney U test confirms significant improvements (p < 0.05) over existing FL approaches across both datasets, demonstrating the framework's adaptability to different network security contexts. Detailed profiling analysis reveals the efficiency gains through dramatic reductions in GPU operations and memory transfers while maintaining robust detection performance under varying client conditions.

Marfo, William [University of Texas at El Paso]↗

DOE OSTI2024

Doping engineering: Next step toward room temperature performance of terahertz quantum cascade lasers

We hereby offer a comprehensive analysis of various factors that could potentially enable terahertz quantum cascade lasers (THz QCLs) to achieve room temperature performance. We thoroughly examine and integrate the latest findings from recent studies in the field. Our work goes beyond a mere analysis; it represents a nuanced and comprehensive exploration of the intricate factors influencing the performance of THz QCLs. Through a comprehensive and holistic approach, we propose novel insights that significantly contribute to advancing strategies for improving the temperature performance of THz QCLs. This all-encompassing perspective allows us not only to present a synthesis of existing knowledge but also to offer a fresh and nuanced strategy to improve the temperature performance of THz QCLs. We draw new conclusions from prior works, demonstrating that the key to enhancing THz QCL temperature performance involves not only optimizing interface quality but also strategically managing doping density, its spatial distribution, and profile. This is based on our results from different structures, such as two experimentally demonstrated devices: the spit-well resonant-phonon and the two-well injector direct-phonon schemes for THz QCLs, which allow efficient isolation of the laser levels from excited and continuum states. In these schemes, the doping profile has a setback that lessens the overlap of the doped region with the active laser states. Our work stands as a valuable resource for researchers seeking to gain a deeper understanding of the evolving landscape of THz technology. Furthermore, we present a novel strategy for future endeavors, providing an enhanced framework for continued exploration in this dynamic field. This strategy should pave the way to potentially reach higher temperatures than the latest records reached for T max of THz QCLs.

47 OTHER INSTRUMENTATION↗

DOE OSTI2019

Atmospheric Emitted Radiance Interferometer Optimal Estimation (AERIoe) Value-Added Product Report

The Atmospheric Emitted Radiance Interferometer (AERI) Optimal Estimation (AERIoe) algorithm (Turner and Löhnert 2014, Turner and Blumberg 2019) retrieves profiles of temperature and water vapor mixing ratio, together with cloud properties for a single-layer cloud (i.e., liquid water path [LWP], effective radius), from AERI-observed infrared radiance spectrum and other measurements. The data can be used to characterize the evolution of the planetary boundary layer and boundary-layer clouds.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Development of ~25% Efficient Double Side Screen Printed Poly-Si/SiO x Passivated Contact Solar Cells

This program aims to overcome these challenges and develop high-efficiency (24-25%) double-side (DS) TOPCon solar cells by maximizing passivation on both sides while mitigating light absorption losses. To achieve this, the program will implement either thin (≤ 20 nm) homogeneous n-TOPCon on the entire front surface or selective area thick (≥ 100 nm) n-TOPCon only underneath the front metal contact with ~90% field region composed of dielectric passivated textured n-Si in between the poly-Si/metal grid. The rear side will feature ~250 nm-thick full-area planar p-TOPCon, which functions as the rear junction. Recombination and parasitic absorption losses in the front and rear TOPCon layers will be minimized by tailoring their doping profiles and thickness. Additionally, the device performance will be further enhanced through the optimization of bulk parameters, including the carrier lifetime, resistivity, and thickness of the n-type Si absorber. Finally, advanced metallization techniques, such as fine-line printing, and floating busbar or busbar-less designs, will be employed to reduce recombination, resistive, and optical losses. The program started with the development of a technology roadmap for DS-TOPCon cells to achieve target efficiency.

14 SOLAR ENERGY↗

DOE OSTI2021

Prediction of electron density and pressure profile shapes on NSTX-U using neural networks

A new model for prediction of electron density and pressure profile shapes on NSTX and NSTX-U has been developed using neural networks. The model has been trained and tested on measured profiles from experimental discharges during the first operational campaign of NSTX-U. By projecting profiles onto empirically derived basis functions, the model is able to efficiently and accurately reproduce profile shapes. In order to project the performance of the model to upcoming NSTX-U operations, a large database of profiles from the operation of NSTX is used to test performance as a function of available data. The rapid execution time of the model is well suited to the planned applications, including optimization during scenario development activities, and real-time plasma control. Finally, a potential application of the model to real-time profile estimation is demonstrated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

TROPoe retrievals from SGP C1

The TROPoe (formerly called AERIoe) algorithm (Turner and Löhnert 2014, 2021; Turner and Blumberg 2019) retrieves profiles of temperature and water vapor mixing ratio, together with cloud properties for a single-layer cloud (i.e., LWP, effective radius), from AERI-observed infrared radiance spectrum. The data can be used to characterize the evolution of the planetary boundary layer and boundary layer clouds. This data set was collected at the ARM SGP Central Facility (CF) during and after the MicroPulse DIAL Demonstration (MPDDEMO) field campaign. The TROPoe retrieval was run at 5-minute resolution, but retrievals can be performed at the maximum temporal resolution of the AERI instrument (order 30 s) -- if this higher temporal resolution is desired, please contact Dave Turner. This is a physical-iterative retrieval method. The retrieval of thermodynamic profiles from spectral infrared radiance observations is an ill-posed problem, and thus constraints need to be included in the retrieval algorithm to provide physically plausible results. Here, we use a climatology of radiosonde profiles collected at the ARM SGP site during the summer as our prior information in an optimal estimation framework. Surface meteorology and output from the rapid-refresh (RAP) numerical weather prediction model (above 4 km) were used as additional constraints by the retrieval. As the method uses an optimal estimation framework, a full error covariance matrix of each solution is included in the output file. The 1-sigma uncertainty of each retrieved variable, which is derived from the error covariance matrix, is included for each scientific field and is named "sigma_X", where "X" is the name of the scientific field (e.g., 'temperature'). The information content in the AERI observations, which is in the "dfs" field, on the thermodynamic profiles is primarily concentrated in the lowest 3 km or up to cloud base; the retrieved data should not be used above that level (or used with caution). There is an overall "qc_flag" field that is set when a retrieval should not be trusted. However, the logic that sets this flag did not work correctly, and it should not be used. Instead, consider all retrievals that have a value for "converged_flag" greater than 0 as valid. If you have any questions, contact Dave Turner. This is Release_2_12 of the TROPoe algorithm.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

Optimal Operation of a Plug-In Hybrid Vehicle

In this work, we present a convex optimization control method that has been shown in simulations to increase the fuel efficiency of a plug-in hybrid electric vehicle by over 10%. Using information on energy demand and energy use profiles, the problem is defined to preferentially use battery resources sourced from the grid over petroleum resources. We pose the general nonlinear optimal resource management problem over a predetermined route as a convex optimization problem using a reduced model of the vehicle. This problem is computationally efficient enough to be optimized “on the fly” on the on-board vehicle computer and is thus able to adapt to changing vehicle conditions in real time. Lastly, using this reduced model to generate control inputs for the detailed vehicle simulator autonomie, we record efficiency gains of over 10% as compared to the industry standard charge depleting charge sustaining controller over synthetic mixed urban-suburban routes.

02 PETROLEUM↗

DOE OSTI2026

Neural operator transformers capture bifurcating drift-wave turbulence in fusion plasma simulations

Self-consistent modeling of turbulence-driven transport is critical for optimizing confinement in magnetically confined fusion plasmas, such as tokamaks and stellarators. In particular, capturing the long-term co-evolution of turbulence, flow, and background plasma profiles remains computationally challenging. Direct numerical simulation of these multiscale, highly nonlinear processes is often demanding and impractical for real-time control or design optimization. To address this bottleneck, we investigate transformer-based neural operator partial differential equation surrogates for emulating the dynamics of drift-wave turbulence bifurcation mediated by zonal flows, using the modified Hasegawa–Wakatani (MHW) model as a prototypical system. We find that the finetuned neural operator model has excellent performance in capturing the multi-spatiotemporal-scales of MHW turbulence bifurcation and is robust to testing on rare and out-of-distribution dynamics. Specifically, we demonstrate that a single unified model accurately predicts both quasi-steady-state turbulence and a wide range of dynamical transition processes, such as nonlinear saturation, spontaneous suppression of turbulence, and the emergence of macroscopic zonal flows, over time horizons vastly exceeding the local turbulence correlation time. This computationally efficient approach establishes a strong foundation for fast, AI-based modeling of complex, multiscale phenomena in magnetized fusion plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Optimization and active stabilization of a far-infrared laser for NSTX-U high poloidal wavenumber scattering diagnostics

The far-infrared (FIR) laser output beam power and profile are important parameters in the laser-aided diagnostics, directly influencing the spatial resolution and signal-to-noise ratio of measurements. Here, this work focuses on developing a systematic control method to enhance FIR laser beam quality through optimized mirror alignment and real-time feedback-based precision cavity length tuning. A 150 W CO 2 laser, aligned with the waveguide axis using a HeNe reference laser, serves as the pump source. The sensitivity of FIR beam intensity to pump gas pressure and thermal expansion is investigated, revealing that even a 1 µm cavity expansion can significantly degrade output power stability to about two-thirds of its original value. To address this, a feedback control module has been designed and implemented for active cavity length adjustment, stabilizing the output power at ∼30 mW. In addition, maintaining a high formic acid gas pressure ($>$190 mTorr) within the cavity ensures reliable operation. The optimized FIR laser will be deployed on the National Spherical Torus eXperiment-U high poloidal wavenumber scattering system for studying electron-scale turbulence in tokamak plasmas.

Xu, Xinhang [Univ. of California, Davis, CA (Unite↗

DOE OSTI2018

Placement and Sizing of Inverter-Based Renewable Systems in Multi-Phase Distribution Networks

This study develops a tractable formulation for optimal placement and sizing of inverter-based renewable systems in multi-phase distribution networks. The goal of the formulation is to minimize the cost of inverter installation, average power import, and average distributed generation curtailment. Threephase and single-phase inverter models are presented that preserve the underlying mappings between renewable uncertainty to power injection. The uncertainty of distributed generators (DGs) and loads are characterized by a finite set of scenarios. Linear multi-phase power flow approximations are used in conjunction with scenario reduction techniques to arrive at a tractable twostage stochastic formulation for optimal DG placement and sizing. First-stage decisions are locations for DG deployment and capacity sizes, and second-stage decisions include DG real power curtailment, reactive power support, as well as feeder voltage profile. The resulting formulation is a mixed-integer second-order cone program and can be solved efficiently either by existing optimization solvers or by relaxing the binary variables to the [0,1] interval. Simulation studies on standard multi-phase IEEE test feeders promise that optimal stochastic planning of DGs reduces costs during validation, compared to a scheme where uncertainty is only represented by its average value.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2017

Coordinated distribution network control of tap changer transformers, capacitors and PV inverters

A power distribution system operates most efficiently with voltage deviations along a feeder kept to a minimum and must ensure all voltages remain within specified limits. Recently with the increased integration of photovoltaics, the variable power output has led to increased voltage fluctuations and violation of operating limits. This study proposes an optimization model based on a recently developed heuristic search method, grey wolf optimization, to coordinate the various distribution controllers. Several different case studies on IEEE 33 and 69 bus test systems modified by including tap changing transformers, capacitors and photovoltaic solar panels are performed. Simulation results are compared to two other heuristic-based optimization methods: harmony search and differential evolution. Finally, the simulation results show the effectiveness of the method and indicate the usage of reactive power outputs of PVs facilitates better voltage magnitude profile.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti–COVID-19 drug design

Viral papain-like cysteine protease (PLpro, NSP3) is essential for SARS-CoV-2 replication and represents a promising target for the development of antiviral drugs. Here, we used a combinatorial substrate library and performed comprehensive activity profiling of SARS-CoV-2 PLpro. On the scaffold of the best hits from positional scanning, we designed optimal fluorogenic substrates and irreversible inhibitors with a high degree of selectivity for SARS PLpro. We determined crystal structures of two of these inhibitors in complex with SARS-CoV-2 PLpro that reveals their inhibitory mechanisms and provides a molecular basis for the observed substrate specificity profiles. Last, we demonstrate that SARS-CoV-2 PLpro harbors deISGylating activity similar to SARSCoV-1 PLpro but its ability to hydrolyze K48-linked Ub chains is diminished, which our sequence and structure analysis provides a basis for. Together, this work has revealed the molecular rules governing PLpro substrate specificity and provides a framework for development of inhibitors with potential therapeutic value or drug repurposing.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

TRANSP-based optimization towards tokamak scenario development

An optimization approach that incorporates the predictive transport code TRANSP is proposed for tokamak scenario development. Optimization methods are often employed to develop open-loop control strategies to aid access to high performance tokamak scenarios. Generally, the optimization approaches use control-oriented models, i.e. models that are reduced in complexity and prediction accuracy as compared to physics-oriented transport codes such as TRANSP. In the presented approach, an optimization procedure using the TRANSP code to simulate the tokamak plasma is considered for improved predictive capabilities. As a test case, the neutral beam injection (NBI) power is optimized to develop a control strategy that maximizes the noninductive current fraction during the ramp-up phase for NSTX-U. Simulation studies towards the achievement of noninductive ramp-up in NSTX-U have already been carried out with the TRANSP code. The optimization-based approach presented in this work is used to maximize the noninductive current fraction during ramp-up in NSTX-U, demonstrating that the scenario development task can be automated. An additional test case considers optimization of the current ramp rate in DIII-D for obtaining a stationary plasma characterized by a flat loop voltage profile in the flattop phase.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗