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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Rapid Bayesian High Entropy Alloy Designs Fabricated via Wire Arc Additive Manufacturing

Purpose: This project seeks to demonstrate a new high-throughput (rapid) alloy design technique applied to creating new high entropy alloys (HEAs) for extreme environments. High entropy alloys shift the design paradigm from being focused on a single principal element (e.g. nickel-based alloys) to target alloys that include high atomic fractions (X >10%) of multiple elements. These HEA materials can exhibit sluggish diffusion and enhanced corrosion resistance, ideal for potential applications in advanced ultra supercritical (A-USC) steam cycles for power generation. Scope: The addition of multiple elements in high atomic fractions creates an enormous design space that cannot easily be investigated by traditional material design strategies such as designed of experiments (DOE). This project utilizes a Bayesian machine learning algorithm that has been modified to work with calculation of phase diagrams (CALPHAD) software. This Bayesian algorithm reduces manual inputs and increase the likelihood of achieving an optimal solution. Compositional inputs to this algorithm will be assessed using existing material property models for high temperature strength and corrosion resistance. The target for alloy performance will be a 15% (~100 ⁰C) increase in allowable service temperature beyond heat-resistant stainless steels while maintaining or improving alloy cost and corrosion resistance. Haynes 230 was selected as a baseline, which is 57 wt% Ni with 22 wt% Cr 14 wt% W, and 2 wt% Mo as solid solution strengtheners. In addition to rapid design via Bayesian machine learning, the alloys were rapidly fabricated using a multi-wire arc additive manufacturing (mWAAM) technique which allows for precise control of alloy composition and assessing of alloy design “windows” to study composition effects. Build speeds for wire-arc additive processes are among the highest for additive technologies enabling rapid and reliable sample fabrication when compared to conventional methods such as arc button melting. The mWAAM samples will be rapidly characterized via instrumented indentation for room temperature modulus and strength and for elevated temperature strength via hot hardness tests. After being screened with hardness testing, potential alloys will be further evaluated with conventional microscopy techniques including scanning electron microscopy (SEM) and transmission electron microscopy (TEM) to assess agreement with modeling results. The most promising compositions will also be evaluated by printing full sized tensile specimens for mechanical behavior tests at elevated temperatures. Results: Bayesian machine learning of a single performance function was initially used to optimize five performance metrics: 1) single phase stability, 2) yield strength, 3) creep resistance (low diffusion coefficient), 4) freezing range (weldability), and 5) material cost. The single performance function was suboptimal as assumptions had to be made about the results while formulating the optimization. A goal-oriented Bayesian optimization strategy (Hanaoka, 2021) was implemented with CALPHAD for use with the five metrics above. This multi-objective Bayesian optimization (MOBO) enabled the design of NiCrCoFe alloys with V and W additions. A base composition of NiCoCr was selected as Ni provides a stable FCC matrix, Cr aids corrosion/oxidation resistance, and Co is a solid-solutions strengthener that also improves creep by increasing the activation energy. Fe helps reduce diffusion coefficients and cost. Finally, V and W were selected for their reasonable solubility and high atomic misfit to aid in solid solution strengthening. Cracking of the mWAAM specimens was an early issue, and the Easton solidification cracking model (Easton et al., 2014a) was selected for addition to the MOBO function. High performing alloys fabricated by mWAAM included Ni 28 Cr 25 Co 26 Fe 15 V 8 and Ni 62 Cr 18 Co 1 Fe 3 W 15 . It was observed that even after adapting the mWAAM process for W, the W did not fully dissolve. To fully evaluate the Ni 62 Cr 18 Co 1 Fe 3 W 15 composition, a cored wire (80-20 NiCr sheath/powder core) was manufactured and printed via WAAM, and HIP’ing was utilized to homogenize and densify the printed alloy. The V and W alloys produced met metrics 1 (solid solution), 4 (solidification cracking), and 5 (cost). However, an unmodeled mechanism of thermal stress cracking was identified in the WAAM produced materials, perhaps exacerbated by the lack of grain boundary strengthening elements (B, C). Conclusions & Recommendations: A high-throughput (rapid) alloy design technique was applied to designing and manufacturing new high entropy alloys (HEAs) for extreme environments utilizing MOBO and mWAAM. The developed process was rapid and effective in addressing the mechanisms included in the model. The lack of grain boundary strengthening element additions (e.g., B, C) was a simplification that likely produced thermal stress cracking that turned into a large part of the investigation. Additions on the order of 0.005 wt% B and 0.05 wt% C likely would have minimized thermal stress grain boundary cracking. Overall, the high throughput design strategy is promising for rapid design of metrics-driven alloys for advanced ultra supercritical (A-USC) steam cycles for power generation. The MOBO and mWAAM process could be commercialized to accelerate metrics-driven alloy design. In addition, the cored-wire process utilized for scale-up is a promising high-volume process for WAAM alloy development and scale-up.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Unstructured Mesh Methods for the Simulation of Hypersonic Flows

This report describes the research work undertaken at the Massachusetts Institute of Technology. The aim of this research is to identify effective algorithms and methodologies for the efficient and routine solution of hypersonic viscous flows about re-entry vehicles. For over ten years we have received support from NASA to develop unstructured mesh methods for Computational Fluid Dynamics. As a result of this effort a methodology based on the use, of unstructured adapted meshes of tetrahedra and finite volume flow solvers has been developed. A number of gridding algorithms flow solvers, and adaptive strategies have been proposed. The most successful algorithms developed from the basis of the unstructured mesh system FELISA. The FELISA system has been extensively for the analysis of transonic and hypersonic flows about complete vehicle configurations. The system is highly automatic and allows for the routine aerodynamic analysis of complex configurations starting from CAD data. The code has been parallelized and utilizes efficient solution algorithms. For hypersonic flows, a version of the, code which incorporates real gas effects, has been produced. One of the latest developments before the start of this grant was to extend the system to include viscous effects. This required the development of viscous generators, capable of generating the anisotropic grids required to represent boundary layers, and viscous flow solvers. In figures I and 2, we show some sample hypersonic viscous computations using the developed viscous generators and solvers. Although these initial results were encouraging, it became apparent that in order to develop a fully functional capability for viscous flows, several advances in gridding, solution accuracy, robustness and efficiency were required. As part of this research we have developed: 1) automatic meshing techniques and the corresponding computer codes have been delivered to NASA and implemented into the GridEx system, 2) a finite element algorithm for the solution of the viscous compressible flow equations which can solve flows all the way down to the incompressible limit and that can use higher order (quadratic) approximations leading to highly accurate answers, and 3) and iterative algebraic multigrid solution techniques.

Peraire, Jaime↗
DOE OSTI2023

Airfoil Computational Fluid Dynamics - 9k shapes, 2 AoA's

This dataset contains aerodynamic quantities - including flow field values (momentum, energy, and vorticity) and summary values (coefficients of lift, drag, and momentum) - for 8,996 airfoil shapes, computed using the HAM2D CFD (computational fluid dynamics) model. The airfoil shapes were designed using the separable shape tensor parameterization that encodes two-dimensional shapes as elements of the Grassmann manifold. This data-driven approach learns two independent spaces of parameter from a collection of sample airfoils. The first captures large-scale, linear perturbations, and the second defines small-scale, higher-order perturbations. For this data, we used the G2Aero database of over 19,000 airfoil shapes to learn a parameter space that captured a wide array of shape characteristics. We fixed the linear deformations to be the mean over the database and sampled new shapes over a four-dimensional parameter space of higher-order perturbation. This sampling approaches allows for isolated analysis of non-linear airfoil shape deformations while holding other aspects (e.g., airfoil thickness) approximately constant. The aerodynamic quantities for the generated airfoil were obtained using the HAM2D code, which is a finite-volume Reynolds-averaged Navier-Stokes (RANS) flow solver. We employ a fifth-order WENO scheme for spatial reconstruction with Roe's flux difference scheme for inviscid flux and second-order central differencing for viscous flux. A preconditioned GMRES method is applied for implicit integration. The Spalart-Allmaras 1-eq turbulence model is used for the turbulence closure, and the Medida-Baeder 2-eq transition model is applied to account for the effects of laminar turbulent transition. The airfoil grid is generated with a total of 400 points on the airfoil surface, the initial wall-normal spacing of y+ = 1, and an outer boundary located at 300 chord lengths away from the wall. The CFD simulations are performed at a freestream Mach number of 0.1, Reynolds number of 9M, and at two angles of attack, 4 deg. and 12 deg. The simulations were performed using the Bridges-2 system at the Pittsburgh Supercomputing Center in February 2023 as part of the INTEGRATE project funded by the Advanced Research Projects Agency - Energy in the U.S. Department of Energy. The data was collected, reformatted, and preprocessed for this OEDI submission in July 2023 under the Foundational AI for Wind Energy project funded by the U.S. Department of Energy Wind Energy Technologies Office. This dataset is intended to serve as a benchmark against which new artificial intelligence (AI) or machine learning (ML) tools may be tested. Baseline AI/ML methods for analyzing this dataset have been implemented, and a link to their repository containing those models has been provided. The .h5 data file structure can be found in the GitHub Repository resource under explore_airfoil_9k_data.ipynb.

9k↗
DOE OSTI2025

An Adaptive Newton-Based Free-Boundary Grad–Shafranov Solver

Equilibria in magnetic confinement devices result from force balancing between the Lorentz force and the plasma pressure gradient. In an axisymmetric configuration like a tokamak, such an equilibrium is described by an elliptic equation for the poloidal magnetic flux, commonly known as the Grad–Shafranov equation. It is challenging to develop a scalable and accurate free-boundary Grad–Shafranov solver, since it is a fully nonlinear optimization problem that simultaneously solves for the magnetic field coil current outside the plasma to control the plasma shape. In this work, we develop a Newton-based free-boundary Grad–Shafranov solver using adaptive finite elements and preconditioning strategies. The free-boundary interaction leads to the evaluation of a domain-dependent nonlinear form of which its contribution to the Jacobian matrix is achieved through shape calculus. The optimization problem aims to minimize the distance between the plasma boundary and specified control points while satisfying two nontrivial constraints, which correspond to the nonlinear finite element discretization of the Grad–Shafranov equation and a constraint on the total plasma current involving a nonlocal coupling term. The linear system is solved by a block factorization, and AMG is called for subblock elliptic operators. The unique contributions of this work include the treatment of a global constraint, preconditioning strategies, nonlocal reformulation, and the implementation of adaptive finite elements. Furthermore, it is found that the resulting Newton solver is robust, successfully reducing the nonlinear residual to 1e-6 and lower in a small handful of iterations while addressing the challenging case to find a Taylor state equilibrium where conventional Picard-based solvers fail to converge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Improvements to the Modeling of the TREAT Reactor and Experiments

This paper summarizes the latest improvements and lessons learned from the modeling and simulation of the transient test reactor at Idaho National Laboratory using the MAM- MOTH reactor physics application. MAMMOTH is a MOOSE-based, Finite Element Method application that specializes in the analysis of the spatial dynamics behavior of nuclear reactors. Since early 2018 several transient tests have been conducted at TREAT, thus providing the opportunity to apply and benchmark modern modeling and simulation tools. MAMMOTH was used to provide predictions of the power coupling factor between the core and the experiment for various experiments. Even though the power coupling factor predictions agree very well with the experimental data, within the bounds of the experimental uncertainty, one shortcoming was the underprediction of the total energy deposited in the core and in the experiment. Determination of the sources for this discrepancy are ongoing, but several key problems have been identified and resolved, thus providing valuable insights for future research. This paper discusses several of these lessons learned. First, the heat capacity data for the TREAT fuel has some significant problems due to limitations of the measurement techniques used circa 1960s. The sensitivity of the peak power and the total energy deposition to various representations of the heat capacity is approximately 5%. Second, the effects of the biological shield and thermal column on the modeling of the core are non-negligible, since they affect the mean generation time and the effective reflection of neutrons back into the core, which is suspected to be important during the core heat up. Matching the reactor period resolves the fact that the reduced spatial domain used in the MAMMOTH model underpredicts the mean generation time. The neutron reflection from these regions is marginally improved with the use of an albedo boundary condition. Third, modeling of the control rod movement with a multi-scheme method is introduced and its current limitations are exposed. Fourth, we explore the effects of using a homogenized model with Superhomogenization equivalence and how that differs from fully heterogeneous simulations. Finally, the energy condensation effects for this graphite core are significant. Solutions with 10 and 26 energy groups show the benefits of using a finer coarse group structure.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1992

Determination of nitrogen to carbon abundance ratios from transition layer emission lines

We have finished studying the nitrogen to carbon abundance ratios for stars with different effective temperatures T(sub eff) and luminosities using transition layer emission lines and using spectra available in the IUE archives. The N/C abundance ratio determinations using transition layer emission lines are as accurate as the photospheric abundance determinations as found by comparison of results obtained by both methods for the same stars. Our measurements confirm photospheric abundance determinations in regions of the HR diagram where they can be obtained. Our studies have extended the temperature range to higher temperatures. They have shown the exact positions in the HR diagram where the mixing due to the outer convection zones reaches deep enough to bring nuclear processed material to the surface. This occurs at effective temperatures which are higher by delta log T(sub eff) approximately 0.04 or roughly 400 K than expected theoretically. Since the depth of the convection zone increases rapidly with decreasing T(sub eff) this may indicate considerable overshoot beyond the lower boundary of the convection zone. Our N/C abundance ratio determinations from transition layer emission lines have confirmed that the actual enrichment observed for some cool giants is larger than expected theoretically, again indicating a larger degree of mixing in several stars either from below or from above. For the supergiants it probably indicates overshoot above the convective core in the progenitor main sequence stars. For the more massive giants this may also be the case, though we did not find a correlation between delta log N/C and the absolute magnitudes, but these are rather uncertain. As byproducts of these studies we also found anomalies in Si/C and N/C abundance ratios for F giants which can be understood as the relict of surface abundance changes for their main sequence progenitors due to diffusion. This anomaly disappears for G giants, for which the depths of the convection zones are apparently deep enough to wipe out these element separations (Bohm-Vitense 1992).

Boehm-Vitense, Erika↗
DOE OSTI2025

Discovery and Synthesis of a Family of Boride Altermagnets

Borides are a rich material family. To push the boundaries of borides’ properties and applications into broader fields, we have conducted systematic theoretical and experimental searches for synthesizable phases in ternary borides TM 2 B 2 (T = 3d, M = 4d/5d transition metals). We find that TM 2 B 2 in the FeMo 2 B 2 -type and CoW 2 B 2 -type structures form a large family of stable/metastable materials of 120 members. Among them, we identify 40 materials with stable magnetic solutions. Further, we discover 11 altermagnets in the FeMo 2 B 2 -type structure. So far, boride altermagnets are rare. In these altermagnets, T = Fe or Mn atoms are arranged in parallel T-chains with strong ferromagnetic intrachain couplings and antiferromagnetic interchain couplings. They simultaneously exhibit electronic band spin splitting, typical of ferromagnetism, and zero net magnetization, typical of antiferromagnetism. They also exhibit magnonic band chiral splitting. Both effects originate from the unique altermagnetic symmetries crucially constrained by the nonmagnetic atoms in the structure. Transport properties of relevance to spintronic applications, including the strain-induced spin-splitter effect and anomalous Hall effect, are predicted. An iodine-assisted synthesis method for TM 2 B 2 is developed, using which 7 of the predicted low-energy phases are experimentally synthesized and characterized, including 4 altermagnets. This work expands the realm of borides by offering new opportunities for studying altermagnetism and altermagnons in borides. It also provides valuable insights into the discovery and design of altermagnets. Here, by demonstrating that altermagnets can exist as families sharing a common motif, this work paves a feasible route for discovering altermagnets by elemental substitutions and high-throughput computations.

Chemical structure↗
DOE OSTI2025

Quantifying Climate Change Effects of Bioenergy and BECCS: Critical Considerations and Guidance on Methodology

Bioenergy is a critical element in many national and international climate change mitigation efforts, including as a carbon dioxide removal strategy combined with the capture and durable geological storage of flue gas emissions (BECCS). However, divergent results on the effectiveness of bioenergy as a climate change mitigation measure are reported in the scientific literature. Climate impacts of bioenergy depend on case-specific factors, primarily biophysical features of the biomass production system, and the design and efficiency of conversion and capture processes. Estimates of climate impacts are also strongly affected by methodological choices and assumptions, and much of the divergence between studies derives from differences in the assumed alternate use of the land or feedstock, the alternate energy source and the system boundaries applied. We present a methodology to support robust estimates of the climate change effects of bioenergy systems, updating the standard methodology developed by the International Energy Agency's Technology Collaboration Program on Bioenergy. We provide guidance on the key choices including the reference land use and energy system that bioenergy is assumed to displace, spatial and temporal system boundaries, co-product handling, climate forcers considered, metrics applied and time horizon of impact assessment. Researchers should consider the whole bioenergy system including all life cycle stages, and choose system boundaries, reference systems and treatment of co-products that are consistent with the intended application of the results. The assessment should be normalised to a functional unit that can be compared with other systems delivering an equivalent quantity of the same function. All significant climate forcers should be included, and climate effects should be quantified using appropriate impact assessment methods that distinguish the impact of time. Consistency in methodology and interpretation will facilitate comparison between studies of different bioenergy systems.

09 BIOMASS FUELS↗
NASA NTRS2019

Shockwave/Boundary-Layer Interaction Studies Performed in the NASA Langley 20-Inch Mach 6 Air Tunnel

This paper highlights results from a collaborative study performed by The University of Tennessee Space Institute (UTSI) and NASA Langley Research Center on the Shockwave/Boundary-Layer Interaction (SWBLI) generated by a cylindrical protuberance on a flat plate in a Mach 6 flow. The study was performed in the 20-Inch Mach 6 Air Tunnel at NASA Langley Research Center and consisted of two separate entries. In the first entry, simultaneous high-speed schlieren and high-speed pressure-sensitive paint (PSP) imaging – which was performed for the first time in the 20-Inch Mach 6 facility at NASA Langley – were performed as well as simultaneous high-speed schlieren and oil-flow imaging. In the second entry, the model configuration was modified to increase the size of the interaction region. High-speed schlieren and infrared thermography (IR) surface imaging were performed in this second entry. The goal of these tests was to characterize the SBLI in the presence of a laminar, transitional, and turbulent boundary layer using high-speed optical imaging techniques. AoA = sting angle-of-attack (°) dcylinder = cylinder diameter (mm) dtrip = cylindrical tripping element diameter (mm) Δshock = shock stand-off distance (mm) hcylinder = cylinder height (mm) htrip = cylindrical tripping element height (mm) HSS = high-speed schlieren M∞ = freestream Mach number PSP = pressure-sensitive paint Re∞ = freestream unit Reynolds number (m-1) SWBLI = shockwave/boundary-layer interaction θplate = model plate angle (°) Introduction his paper highlights two experimental entries performed in the 20-Inch Mach 6 Air Blowdown Tunnel at NASA Langley Research Center in collaboration with The University of Tennessee Space Institute (UTSI). The purpose of these entries was to characterize the dynamic shockwave/boundary-layer interaction (SWBLI) between a vertical cylinder on a flat plate and laminar, transitional (XSWBLI), and turbulent (SWTBLI) boundary layers with a freestream Mach number of 6 using non-intrusive optical diagnostics. Experiments performed by Murphree et al.1,2 were among the first to specifically characterize XSWBLI induced by a vertical cylinder on a flat plate geometry using several optical measurement techniques. Recent optical studies of XSWBLI phenomenon have been performed by UTSI at Mach 2 in their low-enthalpy blow wind tunnel3-8 and by Texas A&M University and UTSI at Mach numbers of 6 and 7 in their Adjustable Contour Expansion wind tunnel.9 The experiments described in this paper were intended to complement previous studies by expanding the freestream unit Reynolds number range, Re∞, over which the XSWBLI phenomena has been observed. Additionally these experiments, made possible under NASA’s new facility funding model under the Aeronautics Evaluation and Test Capabilities (AETC) project, promoted collaboration between university and NASA researchers. The initial entry in the 20-Inch Mach 6 Air Tunnel at NASA Langley occurred in December of 2016. Originally, testing was to occur in November of 2016 in the 31-Inch Mach 10 Air Tunnel at NASA Langley. This facility was chosen so that the XSWBLI phenomenon could be observed at much higher Mach numbers than had previously been attempted in ground test experiments. The model selected for this experiment, a 10° half-angle wedge with a sharp leading edge (described in detail in section II.B), had previously been used by Danehy et al. [10] for boundary layer transition studies using the nitric oxide planar laser-induced fluorescence (NO PLIF) flow visualization technique. In that work, it was determined that transition could be induced downstream of a single htrip = 1-mm tall, dtrip = 4-mm diameter cylindrical tripping element and that the streamwise location of the transition could be changed for a single Re∞ by changing the model angle-of-attack (AoA) (see Fig. A3 in Ref. [10] for more details). Based on the findings of that work, a decision was made to use the wedge model with the cylindrical tripping element to trip the boundary layer flow ahead of a cylindrical protuberance in order to achieve a XSWBLI. Unfortunately, the 31-Inch Mach 10 facility had been taken offline for repairs in October of 2016 and a decision was made to move the test to the 20-Inch Mach 6 facility. Since the behavior of the boundary layer with the chosen model configuration had not been studied before in that facility and the available test time was limited, the entry was considered to be exploratory and was used to collect spatially-resolved and time-resolved flow and surface visualization data that would be used to inform a second entry. Test techniques included simultaneous high-speed schlieren (HSS) captured at 160 kHz and high-speed pressure sensitive paint captured at 10 kHz as well as oil flow visualization, captured at 750 Hz. The second entry in the 20-Inch Mach 6 facility occurred in June and July of 2017. In this follow-on test, modifications to the wind tunnel model were made based on observations made during the first entry and included removing the cylindrical tripping element, increasing the size of the cylinder used to induce the SWBLI to increase the size of the interaction while simultaneously improving spatial resolution, and using a swept ramp array, similar to that described in Ref. [11], to trip the flow to turbulence. Simultaneous HSS (captured at 140 kHz, 100 kHz, and 40 kHz) and conventional IR thermography (captured at 30 Hz) imaging were performed simultaneously in this follow-on entry. This paper is intended to serve as a summary of the work performed during these two entries, to detail lessons learned from each entry, and to highlight some of the datasets acquired. Details on the experimental setup, model configuration, and techniques used are provided. Papers providing a more rigorous analysis of data acquired during the second entry, including statistical, spectral, and modal decomposition methods, can be found in Refs. [12,13]. An entry examining XSWBLI in the 31-Inch Mach 10 Blowdown Wind Tunnel facility is currently planned for mid-to-late calendar year 2019, pending the success of facility repairs. The work performed and described in this paper and the upcoming entry in the 31-Inch Mach 10 facility at NASA Langley have been made possible by NASA’s new facility funding model under the Aeronautics Evaluation and Test Capabilities (AETC) project. Wind Tunnel Facility All experiments discussed in this paper were performed in the 20-Inch Mach 6 Air Tunnel at NASA Langley Research Center. Specific details pertaining to this facility can be found in Refs. [14,15], with only a brief description of the facility provided here. For both entries, the nominal freestream unit Reynolds number was varied between 1.8×106 m-1 (0.5×106 ft-1) and 26.3×106 m-1 (8×106 ft-1). The nominal stagnation pressure was varied between 0.21 MPa and 3.33 MPa and the nominal stagnation temperature was varied between 480 K and 520 K to achieve the desired Re∞ condition. For all runs, the nominal freestream Mach number was 6. The nearly square test section is 520.7-mm (20.5-inches) wide by 508-mm (20-inches) high. Two 431.8-mm (17-inch) diameter windows made of Corning 7940, Grade 5F schlieren-quality glass serve as the side walls of the tunnel and provide optical access for the high-speed schlieren measurements. A rectangular window made of the same material as the side windows served as the top wall of the test section and provided optical access for the high-speed PSP and oil flow measurements. For the second entry, this top window was replaced with a Zinc Selenide (ZnSe) window with an anti-reflection coating capable of passing IR wavelengths between 8μm and 12μm with greater than 98% transmittance. The model was sting supported by a strut attached to a hydraulic system that allows for the model pitch angle to be adjusted between -5° to +55°. For the first entry, an initial pitch/pause sweep of the model AoA was performed to observe the resulting SWBLI. Ultimately, however, the sting pitch angle for this entry was fixed at +10.0° so that the angle of the top surface of the wedge relative to the streamwise axis of the tunnel (referred to herein as the plate angle, θplate), was θplate = 0°. For the second entry, θplate = 0° and θplate = -13.25° were initially tested with the swept ramp array (discussed in the following section) to determine which orientation produced conditions most favorable for XSWBLI to occur based on the heating signatures observed over the top surface of the model in the IR thermography images. Based on these initial tests, θplate = -13.25° was set for the remainder of the runs in the second entry. For both entries, any model changes were performed in a housing located beneath the closed test section. Prior to performing a run of the tunnel, the housing was sealed and the tunnel started. Once the appropriate freestream conditions were achieved, the model was injected into the test section using a hydraulic injection system. B. Model Geometry For all runs, a 10° half-angle (20° full-angle) wedge model with a sharp leading edge was used. The model is described in detail in Refs. [10,16]. The top surface of the sharp leading edge of the model extended 47.8 mm from its upstream-most edge to a junction with the upstream edge of a stainless steel top plate that then extended an (a) (c) (b) Fig. 1 (a) Schematic of top surface of wedge model with gas seeding insert, (b) perspective view of the model in the 20-Inch Mach 6 tunnel with centerline pressure orifices on sharp leading edge, and (c) a perspective view of the model with stainless steel (top) and SLA middle insert (bottom) during the first entry. Flow occurs from left to right.

Bathel, Brett F.↗
DOE OSTI2026

BSMV-mediated genome editing exhibits host-specific heritability: germline transmission in barley and somatic edits in Nicotiana benthamiana

Plant RNA virus–mediated guide RNA (gRNA) delivery represents a transformative advance in genome editing technologies. Unlike conventional transformation methods that rely on labor-intensive tissue culture and regeneration for each individual gRNA delivery, viral vectors can rapidly and systemically transmit gRNAs into pre-established Cas-expressing plants, providing an accelerated route for functional genomics and trait discovery directly in planta . However, key design parameters, including subgenomic promoter choice, transcript architecture, and their effects on viral fitness and editing outcomes, remain to be elucidated for most viral platforms. We developed five Barley stripe mosaic virus (BSMV) vectors, each with distinct subgenomic promoter elements to drive single gRNA expression. These were initially evaluated in Cas9-expressing transgenic Nicotiana benthamiana plants targeting the Phytoene desaturase ( PDS ) gene to compare their editing efficiencies. Single gRNAs expressed under the duplicated γb subgenomic promoter or when fused directly to the γb genome achieved the highest mutation frequencies (up to 90% at 60 days post-inoculation), whereas β1- and β2-driven sgRNAs produced delayed and reduced editing. Thus, promoter selection critically determines gRNA accumulation and the efficacy of BSMV-mediated genome editing. The top-performing design was then applied to Cas9-expressing barley ( Hordeum vulgare ) targeting HvCMF7 (conferring green-white variegation) and HvGW2.1 (impacts grain width and weight). BSMV spread systemically throughout barley, inducing somatic and heritable mutations at frequencies up to 100%, with virus-free edited progeny. In contrast, despite robust somatic editing in N. benthamiana, no heritable mutations were detected indicating species-dependent limitations in germline transmission. Our systematic comparison of subgenomic promoter architectures establishes clear design principles for optimizing viral vector–mediated delivery. Promoter choice and transcript structure critically shape editing efficiency and viral stability. The host-specific boundary for germline editing, defined by efficient heritable editing in barley but not N. benthamiana , highlights where BSMV offers advantages and where alternative vectors or hybrid strategies are required, guiding rational platform selection for diverse crop species and applications. Collectively, these findings establish BSMV as a promising next-generation vector for rapid, tissue culture–free, and transformation-independent genome editing in cereals and other recalcitrant monocots.

barley↗
NASA NTRS2020

TURBOMAT-FR: Turbomachinery Aeroelastic Forced Response Analysis Automation Using MATLAB® Part 2

The primary aim of this effort is to develop a software tool named “Turbomachinery Aeroelastic Analysis Tool for Forced Response (TURBOMAT-FR)” using MATLAB® (The MathWorks, Inc.) scripts. The tool will aid in performing routine forced response analysis of turbomachinery fan blades with the aid of the modal summation method (MSUM). The MSUM approach requires a modal solution consisting of modal displacements, frequencies, and stresses. The MATLAB® scripts facilitate easy extraction of the required quantities from the computational fluid dynamics (CFD) and MSC Nastran (Hexagon AB) solution files. These quantities are subsequently utilized by the MSUM approach to perform a complete forced response analysis using the MATLAB® scripts. The MATLAB® scripts in TURBOMAT-FR are utilized in postprocessing of the MSC Nastran finite element analysis outputs in three types of solutions or steps, namely (1) stresses and displacements from static or steady response solution, (2) unsteady stresses and displacements from direct forced response solution, and (3) modal solution containing modal displacements and modal stresses. In step (4), separate MATLAB® scripts are also developed to read the processed outputs in step (3) and perform forced response analysis using MSUM. It should be noted that the direct forced response solution from step (2) will provide for a comparison with those obtained from the MSUM approach in steps (3) and (4). The TURBOMAT-FR MATLAB® scripts mentioned previously are presented in two reports designated Parts 1 and 2. Part 1 presents the scripts needed to accomplish steps (1) and (2). The current report, Part 2, presents the scripts needed to accomplish steps (3) and (4), noted previously. The TURBOMAT-FR MATLAB® scripts provided here in Part 2 facilitate the calculation of unsteady stresses using MSUM and provide an automated procedure associated with aeroelastic forced response analysis with different pressure files. The unsteady stresses calculated using MSUM can be compared with those presented in Part 1. A cantilevered blade-alone model subjected to a realistic pressure loading to a boundary was used for static and unsteady direct forced response analysis to demonstrate the effectiveness of the TURBOMATFR MATLAB® scripts.

T S R Reddy↗
NASA NTRS2020

TURBOMAT-FR: Turbomachinery Aeroelastic Forced Response Analysis Automation Using MATLAB®: PART 1

The primary aim of this effort is to develop a software tool named “Turbomachinery Aeroelastic Analysis Tool for Forced Response (TURBOMAT-FR)” using MATLAB® (The MathWorks, Inc.) scripts. The tool will aid in performing routine forced response analysis of turbomachinery fan blades with the aid of the modal summation method (MSUM). The MSUM approach requires a modal solution consisting of modal displacements, modal frequencies, and modal stresses. The MATLAB® scripts facilitate easy extraction of the required quantities from the computational fluid dynamics (CFD) and MSC Nastran (Hexagon AB) solution files. These quantities are subsequently utilized by the MSUM approach to perform a complete forced response analysis.The MATLAB® scripts in TURBOMAT-FR are utilized in postprocessing of the MSC Nastran finite element analysis outputs in three types of solutions or steps, namely (1) stresses and displacements from static and steady response solution, (2) unsteady stresses and displacements from direct forced response solution, and (3) modal solution containing modal displacements and modal stresses. In step (4), separate MATLAB® scripts are also developed to read the processed outputs in step (3) and perform forced response analysis using MSUM. The TURBOMAT-FR MATLAB® scripts mentioned previously are presented in two reports designated “Part 1” and “Part 2”. The current report, Part 1, presents the scripts needed to accomplish steps (1) and (2), noted previously. This will be exclusively useful for performing only the static and steady response analysis and the forced response analysis using the direct forced response solution approach. Part 2 contains the TURBOMAT-FR MATLAB® scripts needed to accomplish steps (3) and (4). The MATLAB® scripts given in Part 2 facilitate the calculation of unsteady stresses using MSUM and provide an automated procedure associated with aeroelastic forced response analysis with different pressure files for the same structural model. The unsteady stresses calculated using MSUM in Part 2 can be compared with those presented in Part 1. A cantilevered blade-alone model subjected to a realistic pressure loading to a boundary was used for static and unsteady direct forced response analysis to demonstrate the effectiveness of the TURBOMATFR MATLAB® scripts.

MATLAB-Scripts↗
DOE OSTI2020

Deformation accommodating periodic computational domain for a uniform velocity gradient

Many multiscale methods for granular materials use periodic computational domains to consider particle scale interactions and then calculate the stress to drive the continuum scale calculations. For problems involving large material deformations, the computation domain often needs to be reinitialized because of the distortion, causing the loss of the history information of the system. This work introduces an algorithm to accommodate a large deformation of the material while maintaining the computational domain cuboid to avoid the domain reinitialization during the computation. The algorithm uses a rotating frame of reference, in which the velocity gradient can be represented by an upper triangular matrix. The deformation caused by the upper triangular matrix is treated by the image system implied in the periodicity to maintain the computational domain cuboid. The effect from the rotation of the reference frame is considered using the inertial forces. Finally, simulations of simple and pure shear motions are carried out to illustrate the algorithm.

42 ENGINEERING↗
DOE OSTI2026

Energy-conserving contact dynamics of nonspherical rigid-body particles

Understanding the contact dynamics of nonspherical particles is crucial for accurately modeling colloidal and granular systems where shape anisotropy dictates structural organization and transport properties. We here introduce an energy-conserving contact dynamics framework for arbitrary convex rigid-body particles by implementing vertex–boundary interactions in 2D and vertex–surface and edge–edge detection in 3D. The established formulation enables continuous force evaluation and prevents particle overlap while conserving total energy during translational and rotational motion. We demonstrate the framework’s stability and its utility to capture packing behavior, anisotropic diffusion, and equations of state of polygonal and polyhedral particles as examples. The framework establishes a robust and extensible foundation for investigating nonequilibrium dynamics of complex nonspherical particulate systems, enabling enhanced understanding of phenomena across spatiotemporal scales in self- and directed-assembly, granular flows, and hydrodynamics, potentially coupled with interactions that represent underlying physical mechanisms.

Discrete element method↗
NASA NTRS1994

Higher harmonic control analysis for vibration reduction of helicopter rotor systems

An advanced higher harmonic control (HHC) analysis has been developed and applied to investigate its effect on vibration reduction levels, blade and control system fatigue loads, rotor performance, and power requirements of servo-actuators. The analysis is based on a finite element method in space and time. A nonlinear time domain unsteady aerodynamic model, based on the indicial response formulation, is used to calculate the airloads. The rotor induced inflow is computed using a free wake model. The vehicle trim controls and blade steady responses are solved as one coupled solution using a modified Newton method. A linear frequency-domain quasi-steady transfer matrix is used to relate the harmonics of the vibratory hub loads to the harmonics of the HHC inputs. Optimal HHC is calculated from the minimization of the vibratory hub loads expressed in term of a quadratic performance index. Predicted vibratory hub shears are correlated with wind tunnel data. The fixed-gain HHC controller suppresses completely the vibratory hub shears for most of steady or quasi-steady flight conditions. HHC actuator amplitudes and power increase significantly at high forward speeds (above 100 knots). Due to the applied HHC, the blade torsional stresses and control loads are increased substantially. For flight conditions where the blades are stalled considerably, the HHC input-output model is quite nonlinear. For such cases, the adaptive-gain controller is effective in suppressing vibratory hub loads, even though HHC may actually increase stall areas on the rotor disk. The fixed-gain controller performs poorly for such flight conditions. Comparison study of different rotor systems indicates that a soft-inplane hingeless rotor requires less actuator power at high speeds (above 130 knots) than an articulated rotor, and a stiff-inplane hingeless rotor generally requires more actuator power than an articulated or a soft-inplane hingeless rotor. Parametric studies for a hingeless rotor operating in a transition flight regime and for an articulated rotor operating at the level-flight boundary (high speed and high thrust conditions) indicate that blade parameters including flap, lag, torsion stiffness distributions, linear pretwist, chordwise offset of center-of-mass from elastic axis and chordwise offset of elastic axis from aerodynamic center can be selected to minimize the actuator power requirements for HHC.

Nguyen, Khanh Q.↗
NASA NTRS1998

The NASA Low-Pressure Turbine Flow Physics Program

An overview of the NASA Lewis Low-Pressure Turbine (LPT) Flow Physics Program will be presented. The program was established in response to the aero-engine industry's need for improved LPT efficiency and designs. Modern jet engines have four to seven LPT stages, significantly contributing to engine weight. In addition, there is a significant efficiency degradation between takeoff and cruise conditions, of up to 2 points. Reducing the weight and part count of the LPT and minimizing the efficiency degradation will translate into fuel savings. Accurate prediction methods of LPT flows and losses are needed to accomplish those improvements. The flow in LPT passages is at low Reynolds number, and is dominated by interplay of three basic mechanisms: transition, separation and wake interaction. The affecting parameters traditionally considered are Reynolds number, freestream turbulence intensity, wake frequency parameter, and the pressure distribution (loading). Three-dimensional effects and additional parameters, particularly turbulence characteristics like length scales, spectra and other statistics, as well as wake turbulence intensity and properties also play a role. The flow of most interest is on the suction surface, where large losses are generated as the flow tends to separate at the low Reynolds numbers. Ignoring wakes, a common flow scenario, there is laminar separation, followed by transition on the separation bubble and turbulent reattachment. If transition starts earlier the separation will be eliminated and the boundary layer will be attached leading to the well known bypass transition issues. In contrast, transition over a separation bubble is closer to free shear layer transition and was not investigated as well, particularly in the turbine environment. Unsteadiness created by wakes complicates the picture. Wakes induce earlier transition, and the calmed regions trailing the induced turbulent spots can delay or eliminate separation via shear stress modification. Three-dimensional flow physics and geometry will have strong effects. Altogether a very complex and challenging problem emerges. The objective of the program is to provide improved models and physical understanding of the complex flow, which are essential for accurate prediction of flow and losses in the LPT. Experimental, computational and analytical work as complementing and augmenting approaches are used. The program involves industry, universities and research institutes, and other government laboratories. It is characterized by strong interaction among participants, quick dissemination of results, and responsiveness to industry's needs. The presentation will describe the work elements. Highlighting some activities in progress are experiments on simulated blade suction surface in low-speed wind tunnels, on curved wall, and on a flat-plate, both with pressure gradient. In the area of computation, assessment of existing models is performed using RANS (Reynolds Averaged Navier Stokes) simulations. Laminar flow DNS was completed. Analytical studies of instability and receptivity in attached and separated flows were started. In the near future the program is moving to include wake effects and development of improved modeling. Experimental work in preparation stages are: (1) Addition of wakes to the curved tunnel experiment; (2) Low-speed rotating rig experiment on GE90 engine LPT; and (3) Transonic cascade. In the area of computation, it is expected to move from model assessment towards development of improved models. In addition, a new project of Large Eddy Simulation (LES) of LPT is to begin and will provide numerical data bases. It is planned to implement the emerging improved models in a multistage turbomachinery code and to validate against the GE90 engine LPT.

Ashpis, David E.↗
NASA NTRS2000

Computations of Boiling in Microgravity

The absence (or reduction) of gravity, can lead to major changes in boiling heat transfer. On Earth, convection has a major effect on the heat distribution ahead of an evaporation front, and buoyancy determines the motion of the growing bubbles. In microgravity, convection and buoyancy are absent or greatly reduced and the dynamics of the growing vapor bubbles can change in a fundamental way. In particular, the lack of redistribution of heat can lead to a large superheat and explosive growth of bubbles once they form. While considerable efforts have been devoted to examining boiling experimentally, including the effect of microgravity, theoretical and computational work have been limited. Here, the growth of boiling bubbles is studied by direct numerical simulations where the flow field is fully resolved and the effects of inertia, viscosity, surface deformation, heat conduction and convection, as well as the phase change, are fully accounted for. Boiling involves both fluid flow and heat transfer and thus requires the solution of the Navier-Stokes and the energy equations. The numerical method is based on writing one set of governing transport equations which is valid in both the liquid and vapor phases. This local, single-field formulation incorporates the effect of the interface in the governing equations as source terms acting only at the interface. These sources account for surface tension and latent heat in the equations for conservation of momentum and energy as well as mass transfer across the interface due to phase change. The single-field formulation naturally incorporates the correct mass, momentum and energy balances across the interface. Integration of the conservation equations across the interface directly yields the jump conditions derived in the local instant formulation for two-phase systems. In the numerical implementation, the conservation equations for the whole computational domain (both vapor and liquid) are solved using a stationary grid and the phase boundary is followed by a moving unstructured two-dimensional grid. While two-dimensional simulations have been used for preliminary studies and to examine the resolution requirement, the focus is on fully three-dimensional simulations. The numerical methodology, including the parallelization and grid refinement strategy is discussed, and preliminary results shown. For buoyancy driven flow, the heat transfer is in good agreement with experimental correlations. The changes when gravity is turned off and/or fluid shear is added are discussed, as well as the difference between simulations of a layer freely releasing bubbles versus simulations using only one wavelength initial perturbation. Figure 1 shows the early stages of the formation of a three-dimensional bubble from a thin vapor layer. The boundary conditions are periodic in the x and y direction, the bottom is a hot and the top allows a free outflow. The jagged edge of the surface close to the bottom of the computational domain is due to some of the surface elements being on the other side of the domain and some elements not plotted by our plotting routine. In the second figure, we show the temperature distribution through two perpendicular planes.

Tryggvason, G.↗
DOE OSTI2025

Tactical Analysis for Calculating Contextual Risk at Boundaries: Summary of Laboratory Directed Research & Development Effort

The Tactical Analysis for Calculating Contextual Risk at Boundaries (TACCRAB) tool is an innovative digital twin (DT) platform and automated risk algorithm designed to transform operational decision-making in structured screening environments, with an initial focus on Southern Border Land Ports of Entry (POEs). The invention provides integration points for advanced artificial intelligence, predictive modeling, and real-time data analysis to produce a comprehensive risk management tool that enables proactive, data-informed security strategies. The core inventive features of TACCRAB center on its unique risk algorithm, which dynamically calculates contextual risk by synthesizing historical data, near real-time streaming data from the checkpoints themselves, and AI-generated predictions. Unlike traditional risk assessment methods, TACCRAB utilizes a DT to provide comprehensive operational insights, allowing stakeholders to visualize, simulate, and optimize checkpoint configurations with unprecedented speed and contextual awareness. TACCRAB's key innovation lies in its ability to combine multiple complex inputs - including technology detection probabilities, resource availability, screening pathway characteristics, and threat actor behavioral patterns - into a unified risk calculation and update these inputs based on changing operational and environmental conditions. By leveraging a DT that continuously updates and learns from linked data, TACCRAB can suggest adaptive mitigation strategies that minimize risk while maintaining operational efficiency. Particularly novel is the platform's approach to decision support, which goes beyond static risk assessment. The DT provides dynamic metrics such as wait times, resource allocation effectiveness, and potential emerging threat scenarios, enabling users to view sophisticated, relevant what-if simulations and optimize checkpoint operations in near real-time. The system's architecture allows for generalized application across different screening environments, such as secure facilities, ports of entry, and soft targets, making it a versatile tool for security and operational management. The invention distinguishes itself through its comprehensive integration of predictive modeling, AI-driven pattern discovery, and user-friendly interface design. By combining these elements, TACCRAB transforms complex risk data into actionable insights, supporting decision-makers at various organizational levels - from booth agents making split-second screening decisions to checkpoint managers optimizing the day's resource allocation to strategic planners managing long-term investments.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗