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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Physics-based shape matching for intraoperative image guidance

Purpose: Soft-tissue deformations can severely degrade the validity of preoperative planning data during computer assisted interventions. Intraoperative imaging such as stereo endoscopic, time-of-flight or, laser range scanner data can be used to compensate these movements. In this context, the intraoperative surface has to be matched to the preoperative model. The shape matching is especially challenging in the intraoperative setting due to noisy sensor data, only partially visible surfaces, ambiguous shape descriptors, and real-time requirements. Methods: A novel physics-based shape matching (PBSM) approach to register intraoperatively acquired surface meshes to preoperative planning data is proposed. The key idea of the method is to describe the nonrigid registration process as an electrostatic–elastic problem, where an elastic body (preoperative model) that is electrically charged slides into an oppositely charged rigid shape (intraoperative surface). It is shown that the corresponding energy functional can be efficiently solved using the finite element (FE) method. It is also demonstrated how PBSM can be combined with rigid registration schemes for robust nonrigid registration of arbitrarily aligned surfaces. Furthermore, it is shown how the approach can be combined with landmark based methods and outline its application to image guidance in laparoscopic interventions. Results: A profound analysis of the PBSM scheme based on in silico and phantom data is presented. Simulation studies on several liver models show that the approach is robust to the initial rigid registration and to parameter variations. The studies also reveal that the method achieves submillimeter registration accuracy (mean error between 0.32 and 0.46 mm). An unoptimized, single core implementation of the approach achieves near real-time performance (2 TPS, 7–19 s total registration time). It outperforms established methods in terms of speed and accuracy. Furthermore, it is shown that the method is able to accurately match partial surfaces. Finally, a phantom experiment demonstrates how the method can be combined with stereo endoscopic imaging to provide nonrigid registration during laparoscopic interventions. Conclusions: The PBSM approach for surface matching is fast, robust, and accurate. As the technique is based on a preoperative volumetric FE model, it naturally recovers the position of volumetric structures (e.g., tumors and vessels). It cannot only be used to recover soft-tissue deformations from intraoperative surface models but can also be combined with landmark data from volumetric imaging. In addition to applications in laparoscopic surgery, the method might prove useful in other areas that require soft-tissue registration from sparse intraoperative sensor data (e.g., radiation therapy)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Geographic variations in lowermost mantle structure from the ray parameters and decay constants of core-diffracted waves: CMBR Structure From P diff and S diff

We propose an array-based approach for constraining seismic velocity structure in the lowermost mantle by measuring the frequency dependence of the ray parameter p and decay constant γ for core-diffracted waves (P diff and SH diff ). The approach uses an iterative multichannel cross-correlation algorithm that solves for relative arrival times and amplitudes of core-diffracted waveforms from multiple peaks in normalized correlograms from pairs of coazimuthal stations. The approach is applied to 60 m b ≥ 5.8 earthquakes for P diff and 36 for SH diff during 2001–2002, with nearly 50,000 unique profile station pairs with epicentral-distance differences of Δd ≥ 10° and azimuth differences of Δφ ≤ 10°, sampling a significant portion of the lowermost mantle. Cap-averaging the resulting ray parameter estimates produces geographic variations that are largely consistent with the distribution of lowermost mantle large low-velocity provinces and seismically fast slab-accumulation regions seen in seismic tomography models, whose locations also greatly influence the geographic distribution of heat flow out of the core. Geographic variations in station-pair diffracted-wave decay constants differ from those of the ray parameters, suggesting that variations in the decay of core-diffracted waves are more linked to lowermost mantle seismic velocity gradients than absolute values of seismic velocity. The ray parameters and decay constants of core-diffracted waves are strongly frequency-dependent, and these frequency variations also vary significantly with geographic location. Combining lateral and vertical seismic-velocity variations with mineral-physics data on elasticity and conductivity of lowermost mantle species can provide constraints on D" composition and CMB heat flux.

58 GEOSCIENCES↗
DOE OSTI2021

Helicon full-wave modeling with scrape-off-layer turbulence on the DIII-D tokamak

Helicon waves have been recently proposed as an off-axis current drive actuator due to their expected high current drive efficiency in the mid-radius region in high beta tokamaks. This paper focuses on a numerical study to better understand effects of scrape-off-layer (SOL) turbulence on helicon wave propagation and absorption on the DIII-D tokamak using a recently developed helicon full-wave model with turbulent density inputs from synthetic single wavelength SOL turbulence and first-principles HERMES multi-wavelength turbulence models. With both input turbulence models, three key effects are observed: the helicon wave can scatter to undesirable locations in the plasma, large helicon wave electric fields can form in localized regions near the SOL turbulence, and the helicon wave can mode convert to slow waves in the SOL. This is shown to cause helicon wave refraction to undesirable locations and strong helicon wave absorption in the SOL resulting in significantly less helicon wave power in the core plasma. Using synthetic SOL turbulence, the simulations additionally show that high amplitudes and long wavelengths greater than a few cm on average have the largest effect on modifying the helicon wave propagation and absorption; the modeling predicts, for example, that approximately 60% of helicon power can be absorbed in the SOL for $\tilde{n}$ /n ~ 0.8 and lambda_perp ~ 0.05 m. Here, several potential physical mechanisms that may explain the interaction of helicon waves with SOL turbulence in these simulations are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

SU-E-J-08: A Hybrid Three Dimensional Registration Framework for Image-Guided Accurate Radiotherapy System ARTS-IGRT

Purpose: The purpose of this work was to develop a registration framework and method based on the software platform of ARTS-IGRT and implement in C++ based on ITK libraries to register CT images and CBCT images. ARTS-IGRT was a part of our self-developed accurate radiation planning system ARTS. Methods: Mutual information (MI) registration treated each voxel equally. Actually, different voxels even having same intensity should be treated differently in the registration procedure. According to their importance values calculated from self-information, a similarity measure was proposed which combined the spatial importance of a voxel with MI (S-MI). For lung registration, Firstly, a global alignment method was adopted to minimize the margin error and achieve the alignment of these two images on the whole. The result obtained at the low resolution level was then interpolated to become the initial conditions for the higher resolution computation. Secondly, a new similarity measurement S-MI was established to quantify how close the two input image volumes were to each other. Finally, Demons model was applied to compute the deformable map. Results: Registration tools were tested for head-neck and lung images and the average region was 128*128*49. The rigid registration took approximately 2 min and converged 10% faster than traditional MI algorithm, the accuracy reached 1mm for head-neck images. For lung images, the improved symmetric Demons registration process was completed in an average of 5 min using a 2.4GHz dual core CPU. Conclusion: A registration framework was developed to correct patient's setup according to register the planning CT volume data and the daily reconstructed 3D CBCT data. The experiments showed that the spatial MI algorithm can be adopted for head-neck images. The improved Demons deformable registration was more suitable to lung images, and rigid alignment should be applied before deformable registration to get more accurate result. Supported by National Natural Science Foundation of China (NO.81101132) and Natural Science Foundation of Anhui Province (NO.11040606Q55)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

A Multifunctional Isostructural Bilayer Oxygen Evolution Electrode for Durable Intermediate-Temperature Electrochemical Water Splitting

The overarching goal of the proposed research is to address SOEC’s degradation problem by advancing a new isostructural highly electrocatalytically active bilayer oxygen evolution reaction (OER) electrode, consisting of a LSCF (La 1-x Sr x Co 1-y Fe y O 3-δ ) core and a SCT (SrCo 0.9 Ta 0.1 O 3-δ ) shell, to achieve high and sustainable rate of oxygen evolution matching operating current densities without encountering delamination. To realize this goal, the project has adopted a combined experimental and theoretical approach to conduct research in the following six areas closely associated with SOPO tasks: 1) Development of electrocatalytically active bilayer oxygen electrodes (SOPO task-1) 2) Development of new symmetric three electrode cell (STEC) methodology to extract electrokinetic data of oxygen electrodes (SOPO task-2) 3) Quantification of electrokinetics of bilayer oxygen electrodes and correlation with degradation and delamination (SOPO task-2) 4) Performances of bilayer oxygen electrodes under fuel cells and electrolyzers modes (SOPO task-3) 5) Microscale modeling of oxygen electrode/electrolyte interface in solid oxide electrolysis cells (SOPO task-4) 6) Prediction of crack growth rate at oxygen electrode/electrolyte interface in solid oxide electrolysis cells (SOPO task-4)

08 HYDROGEN↗
DOE OSTI2025

MOSCATO Development and Integration in Fiscal Year 2025: Implementation of Multiphase, Multiphysics Modeling Capabilities for Molten Salt Systems

MOSCATO (Molten Salt Chemistry and Transport) is a multiphysics code that provides high-fidelity, coupled simulations of fluid flow, heat transfer, mass transfer, chemistry, electrochemical phenomena, and alloy corrosion for molten salt systems. In FY25, significant developments were made to the code package, enhancing its capabilities for modeling all relevant phenomena within operating moltens salt reactors (MSRs). The developments and activities in FY25 included: 1. Implementation of Level-Set methods to enable modeling of single-bubble behavior in molten salts. In FY25, the Level-Set two-phase flow modeling implementation was improved to simulate single bubble behavior with molten salt media. The large density and viscosity ratios between typical gases and molten salt liquids present challenges for these types of numerical solvers. With enhancements to the pressure projection method, MOSCATO’s Level-Set solver was able to be successfully validated to experiments related to helium bubble rise in stagnant molten salt. The simulated bubble rising velocity showed reasonable good agreement with experimental measurements. The bubble shape and dynamics were also visually compared with experimental snapshots, demonstrating a good qualitative match. 2. Generation of mass transfer correlations for multiphase flow systems. To enable calculations of the tritium transport across the interface between gas bubbles and salt, we modeled high- Schmidt-number mass transfer around a sphere across a broad range of Reynolds numbers. The mesh near the sphere surface was highly refined to resolve steep concentration gradients caused by the low diffusion coefficient. Literature-based mass transfer correlations were compared with the numerical results, and modifications were proposed to improve agreement, particularly at higher Schmidt numbers. These mass transfer correlations were subsequently provided to other national laboratories to help enable high quality mass transfer simulations using lower-order solvers under development within the NEAMS program. 3. Preliminary implementation of a bubbly flow solver. To model bubbly flow in molten salt, we implemented a bubbly flow solver for void fractions less than 5%. To do so, an algebraic relative velocity model that assumes small bubbles with rapid momentum equilibration was added to MOSCATO to compute bubble velocities. Preliminary comparisons with experimental data showed reasonable agreement, and further improvements are underway. 4. Generation of mass transfer correlations for MSRE subchannel The Molten-Salt Reactor Experiment (MSRE) was a landmark historical project that demonstrated the feasibility of molten-salt reactor technology. The MSRE campaign also generated a significant body of experimental data and reports that continue to support molten-salt–related research. In this report, the MSRE core subchannel was used as the reference geometry for a mass transfer study performed with MOSCATO. The geometry and computational mesh were adapted from a previous study, providing adequate resolution for the relatively low Reynolds number in this case. Additional mesh refinement was applied to reach higher Schmidt numbers, enabling the derivation of a reliable mass-transfer correlation for the present scenario. 5. Simulations of oxygen ingressions into molten salt. In the previous fiscal year, we initiated a study to simulate oxygen ingression in stagnant salt. As oxygen enters the salt through its surface, it reacts with Ce 3+ to form solid CeO 2 and other reaction products. To more fully capture the complex diffusion-convection-reaction mechanisms, capabilities for modeling natural convection in the salt vessel were added. These were needed as the flow of the ingressed gas induced flow in the salt caused by surface shear and non-isothermal effects. With these updated physics in place, we were able to successfully reproduce the experimental results for the rate of change of CeCl 3 concentrations versus time. 6. Flow corrosion model validation. In FY24, MOSCATO’s corrosion model was validated against static corrosion experiments. In FY25, this work was extended to a flow corrosion experiment, where FLiNaK salt was driven by natural convection, with initial salt impurities to initiate corrosion. Despite uncertainties in parameters such as elemental diffusion coefficients in the alloy and unknown H + concentrations, the simulations achieved good agreement with experimental results, especially in predicting sample mass losses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Artificial Neural Network Modeling for 2-group Pin-Wise Group Constants

A High-fidelity multi-dimensional analysis is getting more attention because of the accurate prediction of local parameters for core design and safety assessment. For this, there are two possible approaches. One is a direct whole-core transport which is quite promising in terms of accuracy. However, it is very costly in terms of the computing time and memory requirements. Another option is the pin-by-pin core analysis using the diffusion theory. In the pin-by-pin core analysis, the multi-group constants can be produced by using the well-known generalized equivalence theory (GET) and these group constants can be corrected by the super homogenization method (SPH). Moreover, it is clear that both cross sections and discontinuity factors (DFs) must be corrected based on the leakage information in order to obtain an accurate solution for pin-by-pin core analysis. In a recent work by W. Kim and Y. Kim, the albedo-corrected parameterized equivalence constants (APEC) method was proposed, in which fuel assembly two-group XSs are parameterized as a function of an assembly-wise current-to-flux ratio (CFR). In the current work, we have investigated feasibility of APEC-like correction of two-group constants for homogenized pins in PWR cores, which is called APEC for Pin-cell or APECp. Unlike the APEC method, the artificial neural network (ANN) is used for functionalization of pin-wise XSs and DFs in this study. The pin-wise two-group parameters are evaluated using a 2- D method of characteristics (MOC)-based lattice code, DeCART2D.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Design of an experimental facility with a unit cell test section for studies of the lower plenum in prismatic high temperature gas reactors

A proposed design for a Generation IV reactor is the very-high temperature reactor (VHTR), which employs helium as the primary coolant. Although many advantages exist with this design, a number of challenges remain. One such area of concern is the turbulent mixing of non-isothermal flows in the lower plenum, where an array of coolant jets collectively mix and traverse around a series of structural support posts before exiting the core. Neighboring jets in the lower plenum could experience temperature differences as high as 300–400 K, causing potential hot streaking in the support posts. Additional problems could occur further downstream if the level of non-uniformity in the temperatures is too high (e.g, inducing thermal stresses on gas turbine blades). Therefore, it is important that adequate tools exist to predict the turbulent mixing within the VHTR lower plenum. This task remains difficult to achieve due to the complex geometry and flow physics that dictate the mixing. Various modeling approaches can only be assessed using data acquired from a carefully designed experimental facility. This paper presents details of such a facility, where high-fidelity measurements can be acquired for a scaled portion of the lower plenum defined herein as a ‘‘unit cell”, which consists of a hexagonal array of jets whose flow is directed into a test section with support posts positioned between neighboring jets, and subjected to a crossflow. Through adjusting velocity and temperature conditions at the jet inlets, different locations within the lower plenum can be experimentally simulated. System response quantities (SRQs) include both temperature and velocity measurements, captured via multiple thermocouples embedded in each post, and particle image velocimetry (PIV), respectively. These SRQs provide assessment metrics for both the momentum and energy models present in current computational solvers, and therefore the experimental facility is a valuable source for validation data. Another benefit is a more comprehensive understanding of the thermal-hydraulic loading conditions and flow physics present in the VHTR lower plenum.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1972

Gas-core reactor power transient analysis

The gas core reactor is a proposed device which features high temperatures. It has applications in high specific impulse space missions, and possibly in low thermal pollution MHD power plants. The nuclear fuel is a ball of uranium plasma radiating thermal photons as opposed to gamma rays. This thermal energy is picked up before it reaches the solid cavity liner by an inflowing seeded propellant stream and convected out through a rocket nozzle. A wall-burnout condition will exist if there is not enough flow of propellant to convect the energy back into the cavity. A reactor must therefore operate with a certain amount of excess propellant flow. Due to the thermal inertia of the flowing propellant, the reactor can undergo power transients in excess of the steady-state wall burnout power for short periods of time. The objective of this study was to determine how long the wall burnout power could be exceeded without burning out the cavity liner. The model used in the heat-transfer calculation was one-dimensional, and thermal radiation was assumed to be a diffusion process.

Kascak, A. F.↗
DOE OSTI2026

Passive Energy-Saving Solutions for Clothes Dryers: A Modeling and Experimental Study for Improved Efficiency and Affordability

Dryers are integral appliances in modern households, yet their significant power consumption remains a critical challenge for reducing energy bills and upgrades. This work presents the outcomes of a comprehensive investigation aimed at lowering the operating energy costs of the dryer through modeling and experimental approaches. Specifically, the objectives of this research are twofold: (1) to reduce energy consumption without negatively impacting drying performance or time; and (2) to ensure affordability by developing retrofittable solutions characterized by low cost and a quick payback period. These strategies promise universal applicability to all dryer categories, encompassing both gas and electric models, by tackling core issues such as unnecessary heat loss and excess energy supply, both prevalent across dryer designs. Our methodology combines robust modeling frameworks and experimental validation to target energy efficiency improvements through three primary pathways: (1) effective heat loss management using ultralow-cost insulation materials tailored for dryer systems; (2) heat management across the drying cycle, facilitated by passive heat transfer mechanisms, and (3) optimization of heat supply to the load to ensure precise energy delivery, minimizing waste. These innovations are designed to seamlessly integrate with existing dryer configurations, providing a scalable and retrofittable solution that ensures affordability without requiring substantial redesigns or expensive components. Using these methods, the study demonstrates improvement opportunities in dryer energy consumption while maintaining the desired performance. The modeling component utilizes computational simulations to evaluate the thermal and energy performance of these innovations under varied operational conditions, providing foundational insights for experimental design. By addressing critical areas such as heat loss, energy recovery, and supply optimization, this work proposes impactful solutions for lowering the energy costs in domestic clothes dryers. The ultralow-cost, retrofittable nature of the proposed strategies ensures widespread adoption potential across diverse dryer categories, making significant strides toward affordable household energy practices.

Cheekatamarla, Praveen [ORNL] (ORCID:0000000248827↗
DOE OSTI2012

A Stepwise "Micellization-Crystallization" Route to Oblate Ellipsoidal, Cylindrical, and Bilayer Micelles with Polyethylene Cores in Water

Micellar polymorphism from block copolymers has been well documented, but most attention has focused on noncrystalline hydrophobic systems. We have investigated the micellization in water of model diblock copolymers with semicrystalline polyethylene (PE) as the core-forming component. Poly(N,N-dimethylacrylamide)–polyethylene (AE) diblock copolymers were synthesized by a combination of anionic and RAFT polymerizations. The bulk nanostructures were probed by small-angle X-ray scattering (SAXS) and AE diblock copolymers were found to be moderately segregated at 140 °C. Dispersions of AE amphiphiles in water were prepared by direct dissolution at 120 °C (i.e., above the melting transition of PE) followed by cooling to 25 °C. By manipulating the composition of AE diblock copolymers, discrete structures with oblate ellipsoidal, cylindrical, and bilayer morphologies were produced, as evidenced in cryogenic transmission electron microscopy (cryo-TEM). The self-assembled aggregates were also studied by small-angle neutron scattering (SANS) and dilute solution rheology. The semicrystalline nature of the nanostructures was further revealed by differential scanning calorimetry (DSC) and wide-angle X-ray scattering (WAXS). A stepwise “micellization–crystallization” process was proposed as the micelle formation mechanism, as supported by the existence of similar nanostructures at 120 °C using SANS. This strategy holds promise for a general protocol toward the production of giant wormlike micelles and vesicles with semicrystalline polymeric cores.

Yin, Ligeng↗
DOE OSTI2019

Within-host infectious disease models accommodating cellular coinfection, with an application to influenza

Within-host models are useful tools for understanding the processes regulating viral load dynamics. While existing models have considered a wide range of within-host processes, at their core these models have shown remarkable structural similarity. Specifically, the structure of these models generally consider target cells to be either uninfected or infected, with the possibility of accommodating further resolution (e.g. cells that are in an eclipse phase). Recent findings, however, indicate that cellular coinfection is the norm rather than the exception for many viral infectious diseases, and that cells with high multiplicity of infection are present over at least some duration of an infection. The reality of these cellular coinfection dynamics is not accommodated in current within-host models although it may be critical for understanding within-host dynamics. This is particularly the case if multiplicity of infection impacts infected cell phenotypes such as their death rate and their viral production rates. Here, we present a new class of within-host disease models that allow for cellular coinfection in a scalable manner by retaining the low-dimensionality that is a desirable feature of many current within-host models. The models we propose adopt the general structure of epidemiological ‘macroparasite’ models that allow hosts to be variably infected by parasites such as nematodes and host phenotypes to flexibly depend on parasite burden. Specifically, our within-host models consider target cells as ‘hosts’ and viral particles as ‘macroparasites’, and allow viral output and infected cell lifespans, among other phenotypes, to depend on a cell’s multiplicity of infection. We show with an application to influenza that these models can be statistically fit to viral load and other within-host data, and demonstrate using model selection approaches that they have the ability to outperform traditional within-host viral dynamic models. Important in vivo quantities such as the mean multiplicity of cellular infection and time-evolving reassortant frequencies can also be quantified in a straightforward manner once these macroparasite models have been parameterized. The within-host model structure we develop here provides a mathematical way forward to address questions related to the roles of cellular coinfection, collective viral interactions, and viral complementation in within-host viral dynamics and evolution.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Semi-Annual Report for Modular Integrated Gas High Temperature Reactor Development during Performance Period October 2021 - March 2022

Modular Integrated Gas High Temperature Reactor (MIGHTR) is being designed by a multidisciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed MIGHTR in 3 years and support its commercialization as a safe and low-cost HTGR. Argonne National Laboratory is responsible for the design and analysis of the reactor cavity cooling system (RCCS) as a safety system for passive decay heat removal of the reactor concept. Work performed by Argonne also includes the thermal hydraulics analysis of the primary heat transport system including reactor pressure vessel (RPV) internals for normal operation, shutdown, and accident conditions. This first semi-annual report summarizes the progress made at Argonne on the two tasks since the start of the project. For the RCCS design task, high-level design work was performed including identification of design requirements for the conceptual MIGHTR RCCS and initial design calculations. The baseline dimensions of the MIGHTR RCCS were derived from scoping analysis results and preliminary steady state performance was estimated. At the initial stage of the primary system analysis task, the primary system thermal fluids model for the MIGHTR core was outlined to use a simplified two-dimensional model to predict the temperature distribution and coolant pressure losses in the fuel assembly blocks.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

INFERENCE OF HEATING PROPERTIES FROM “HOT” NON-FLARING PLASMAS IN ACTIVE REGION CORES. II. NANOFLARE TRAINS

Despite its prediction over two decades ago, the detection of faint, high-temperature (“hot”) emission due to nanoflare heating in non-flaring active region cores has proved challenging. Using an efficient two-fluid hydrodynamic model, this paper investigates the properties of the emission expected from repeating nanoflares (a nanoflare train) of varying frequency as well as the separate heating of electrons and ions. If the emission measure distribution (EM(T)) peaks at T = T{sub m} , we find that EM(T{sub m}) is independent of details of the nanoflare train, and EM(T) above and below T{sub m} reflects different aspects of the heating. Below T{sub m} , the main influence is the relationship of the waiting time between successive nanoflares to the nanoflare energy. Above T{sub m}, power-law nanoflare distributions lead to an extensive plasma population not present in a mono-energetic train. Furthermore, in some cases, characteristic features are present in EM(T). Such details may be detectable given adequate spectral resolution and a good knowledge of the relevant atomic physics. In the absence of such resolution we propose some metrics that can be used to infer the presence of “hot” plasma.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2018

Vision 2040: A Roadmap for Integrated, Multiscale Modeling and Simulation of Materials and Systems

Over the last few decades, advances in high-performance computing, new materials characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) and additive manufacturing have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. While these advances have driven significant progress in the development of aerospace components and systems, that progress has been limited by persistent technology and infrastructure challenges that must be overcome to realize the full potential of integrated materials and systems design and simulation modeling throughout the supply chain. As a result, NASA's Transformational Tools and Technology (TTT) Project sponsored a study (performed by a diverse team led by Pratt & Whitney) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. This report describes the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); identified gaps and actions to close those gaps; and major recommendations) which constitutes a community consensus document as it is a result of over 450 professionals input obtain via: 1) four society workshops (AIAA, NAFEMS, and two TMS), 2) community-wide survey, and 3) the establishment of 9 expert panels (one per KE) consisting on average of 10 non-team members from academia, government and industry to review, update content, and prioritize gaps and actions. The study envisions the development of a cyber-physical-social ecosystem comprised of experimentally verified and validated computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of fit-for-purpose materials, components, and systems. Although the vision focused on aeronautics and space applications, it is believed that other engineering communities (e.g., automotive, biomedical, etc.) can benefit as well from the proposed framework with only minor modifications. Finally, it is TTT's hope and desire that this vision provides the strategic guidance to both public and private research and development decision makers to make the proposed 2040 vision state a reality and thereby provide a significant advancement in the United States global competitiveness.

multi-scale modeling↗
DOE OSTI2015

Enabling Explosives and Contraband Detection with Neutron Resonant Attenuation. Year 1 of 3 Summary

Material Identification by Resonant Attenuation is a technique that measures the energy-dependent attenuation of 1-10 MeV neutrons as they pass through a sample. Elemental information is determined from the neutron absorption resonances unique to each element. With sufficient energy resolution, these resonances can be used to categorize a wide range of materials, serving as a powerful discrimination technique between explosives, contraband, and other materials. Our proposed system is unique in that it simultaneously down-scatters and time tags neutrons in scintillator detectors oriented between a d-T generator and sample. This allows not only for energy measurements without pulsed neutron beams, but for sample interrogation over a large range of relevant energies, vastly improving scan times. Our system’s core advantage is a potential breakthrough ability to provide detection discrimination of threat materials by their elemental composition (e.g. water vs. hydrogen peroxide) without opening the container. However, several technical and computational challenges associated with this technique have yet to be addressed. There are several open questions: what is the sensitivity to different materials, what scan times are necessary, what are the sources of background, how do each of these scale as the detector system is made larger, and how can the system be integrated into existing scanning technology to close current detection gaps? In order to prove the applicability of this technology, we will develop a validated model to optimize the design and characterize the uncertainties in the measurement, and then test the system in a real-world scenario. This project seeks to perform R&D and laboratory tests that demonstrate proof of concept (TRL 3) to establishing an integrated system and evaluating its performance (TRL 4) through both laboratory tests and a validated detector model. The validated model will allow us to explore our technology’s benefits to explosive detection in various applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

High-Performance Computing Based EMT Simulation: Power Grid with IBRs

Electromagnetic transient (EMT) simulation of power grids with high-fidelity models of inverter-based resources (IBRs) is time-consuming and difficult to scale. The necessity for high-fidelity models of IBRs that incorporate the dynamics of individual inverters within IBRs has been showcased in recent studies. These studies focused on events with partial power reduction in each IBR during a transmission line fault in the power grid. These types of events have been documented in multiple North American Electric Reliability Council (NERC) reports in the past decade. It is imperative then to find solutions to speed-up EMT simulations and scale the size of the region with IBRs studied in EMT simulations. In this paper, a combination of numerical simulation algorithms with high-performance computing techniques are employed in discretization and linear solvers employed in the proposed RE-INTEGRATE EMT simulation platform for power grid with IBRs. For ease of scalability, modular and object-oriented programming is used as these techniques are implemented. Additionally, automation software is developed to convert legacy software codes to the proposed RE-INTEGRATE EMT simulation platform. Thereafter, this platform is evaluated on multi-core central processing units (CPUs). Finally, scale-up tests are performed to showcase the scalability that is possible.

Marthi, Phani Ratna Vanamali [ORNL] (ORCID:0000000↗
DOE OSTI2021

Fiber optic system for direct detection of CO 2 leakage in carbon storage wells (Abbreviated Final Report)

The feasibility study focused on the development of new fiber for distributed chemical sensing that will allow direct detection of CO2 leakages in the environment. This is particularly important for monitoring well integrity for carbon capture and storage (CSS), which can provide early warning for an incoming well failure and potential CO2 leaking through it. We proposed Raman or IR interrogation within gas-filled Holey Fibers (HoFs) interleaved with Fiber Bragg Grating (FBG) sections, so that the location and concentration of the gases would be provided simultaneously. The methodology would overcome current roadblocks to using fiber optics for CO2 (and other gases) detection in wells with direct in-situ measurements of concentration along with other important parameters such as temperature and pressure. We were able to assess commercially available IR/Raman hollow core fiber and demonstrated detection of CO2 through them in our controlled environment setups at various pressure conditions. We have also established the ability of drilling precisely with fs-lases side holes to enable penetration of CO2 into the hollow core fiber and reduce diffusion rates. Open joint collars were also explored with double functionality: to obtain splice to solid core fiber critical for field deployment and create gas ingress locations. Both diffusion-only and pressurized fiber system have been constructed following COMSOL based semi-hybrid optical /fluidodynamics models. FBGs have been identified and procured and characterized. Along the work we leveraged internal modeling/design, photonics/laser characterization, optical fiber fabrication, and AM lab capabilities to design, develop and test in-house components or assemblies. Our results indicate the potential of HoF for CO2 downhole direct detection.

25 ENERGY STORAGE↗