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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Simulations of the churning mode: Toroidally symmetric plasma convection and turbulence around the X-points in a snowflake divertor

Using a reduced MHD model, extended to include field-aligned thermal conduction, we present numerical simulations of the churning mode (CM): a toroidally symmetric, non-linear plasma vortex in the vicinity of the null points in a snowflake (SF) divertor [D. D. Ryutov et al., Phys. Scr. 89, 088002 (2014)]. Simulations are carried out across a range of inter-null separations, d xx ⁠, and inter-null orientations, θ⁠, primarily in conditions relevant to the MAST-U tokamak. We find that, when d xx is small, the CM induces additional transport across the X-points when β pm ≳8%, where β pm is the ratio of the plasma pressure in the null region to poloidal magnetic pressure at the midplane. This transport also increases approximately linearly as d xx is reduced. A diffusive model of this transport is shown to predict the total transport across the null points, where diffusion coefficients of up to ∼ 10 2 m 2 s −1 centered on a small region around the X-points are used. However, the CM also results in significant changes to the flux surfaces in the null region, which is not captured by this diffusive model. The changes in magnetic geometry mean the fractional exhaust power delivered to each divertor leg is highly sensitive to β pm ⁠, d xx ⁠, and θ⁠. For small values of θ⁠, the CM can induce a change in topology, redirecting exhaust power from a secondary divertor leg on the high field side to one on the low field side. Similar behavior is found in the fraction of exhaust power going to the inner and outer divertor. Such changes in the flux surfaces may not be captured by Grad–Shafranov solvers and so may be a source of error in the magnetic reconstruction of SF experiments. We consistently find that the fractional exhaust power going to a secondary divertor leg on the high field side is small, consistent with SF experiments.

Computer simulation↗
DOE OSTI2024

Finite density QCD equation of state: Critical point and lattice-based 𝑇′ expansion

Here, we present a novel construction of the QCD equation of state (EoS) at finite baryon density. Our work combines a recently proposed resummation scheme for lattice QCD results with the universal critical behavior at the QCD critical point. This allows us to obtain a family of equations of state in the range 0 ≤ 𝜇 𝐵 ≤ 700 MeV and 25 MeV ≤ 𝑇 ≤ 800 MeV, which match lattice QCD results near 𝜇 𝐵 =0 while featuring a critical point in the 3D Ising model universality class. The position of the critical point can be chosen within the range accessible to beam-energy scan heavy-ion collision experiments. The strength of the singularity and the shape of the critical region are parametrized using a standard parameter set. We impose stability and causality constraints and discuss the available ranges of critical point parameter choices, finding that they extend beyond earlier parametric QCD EoS proposals. We present thermodynamic observables, including baryon density, pressure, entropy density, energy density, baryon susceptibility and speed of sound, that cover a wide range in the QCD phase diagram relevant for experimental exploration.

Astronomy & Astrophysics↗
DOE OSTI2024

Avoided Quantum Tricritical Point and Emergence of a Canted Magnetic Phase in LaCr 1 – x Fe x Sb 3

New phases or new phenomena are often observed near-zero temperature phase transitions. These new effects represent nature’s way of avoiding quantum critical phase transitions. Here, we look at the quantum tricritical point (QTCP), the special case where two transitions are driven to zero temperature at the same time. Unlike the case of quantum critical points, the avoidance of quantum tricritical points has yet to be demonstrated. Using chemical substitution and a magnetic field, we drive LaCrSb 3 toward a quantum tricritical point. For the first time near a QTCP, here we observe the emergence of a new magnetic phase and the avoidance of the QTCP via a first order phase transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Three-dimensional higher-order saddle-point-induced flatbands in Co-based kagome metals

The saddle point (Van Hove singularity) exhibits a divergent density of states in two-dimensional systems, leading to fascinating phenomena such as strong correlations and unconventional superconductivity, yet it is seldom observed in three-dimensional (3D) systems. In this work we find two types of 3D higher-order saddle points (HOSPs) in emerging 3D kagome metals YbCo 6⁢ Ge 6 and MgCo 6 ⁢Ge 6 . Both HOSPs exhibit a singularity in their density of states, which is significantly enhanced compared to the ordinary saddle point. The HOSP near the Fermi energy generates a flatband extending a large area in the Brillouin zone, potentially amplifying the correlation effect and fostering electronic instabilities. Two types of HOSPs exhibit distinct robustness upon element substitution and lattice distortions in these kagome compounds. Our work paves the way for engineering exotic band structures, such as saddle points and flatbands, and exploring interesting phenomena in Co-based kagome materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Buried Dirac Points in Quantum Spin Hall Insulators: Implications for Majorana Kramers Pair-Based Quantum Computing

Quantum spin Hall insulators (QSHIs) host helical electronic edge states that are protected from backscattering due to time-reversal symmetry (TRS). Despite considerable work investigating QSHI edge states, there is still an open question about their unexpected resilience to large magnetic fields where TRS is undoubtedly broken. In this work, we investigate the transport properties of helical edge states in a QSHI-superconductor (QSHI-SC) junction formed by a In⁢As(15 nm)/Ga⁢Sb(5 nm) double quantum well and a superconducting tantalum (Ta) constriction. We observe a robust conductance plateau up to 2 T, signaling resilient edge-state transport. Using a modified Landauer-Büttiker analysis, we find that the zero-field conductance is consistent with 98% Andreev-reflection probability owing to the high transparency of the (In⁢As/Ga⁢Sb)-Ta interface. Such resilience is consistent with the Dirac point for the edge states being buried in the bulk valence band. We further theoretically show that a buried Dirac point does not affect the robustness of the quasi-one-dimensional topological superconducting phase. We find that a buried Dirac point favors the hybridization of Majorana Kramers pairs (MKPs)—predicted to exist in a QSHI-SC constriction—and fermionic modes in the QSHI vacuum edge resulting in extended MKP states, highlighting the subtle role of buried Dirac points in probing MKPs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

An Updated Synthesis of the Projectile Point Typology and Chronology of Eastern Idaho

The eastern Idaho archaeological record is a unique confluence of the Great Basin, Columbia Plateau, and Great Plains, resulting in a diverse and complex projectile point sequence. This study presents a revised typology and chronology of projectile points in the region, grounded in a comprehensive review of over 750 diagnostic examples from 16 stratified sites and 110 associated radiocarbon dates. We reevaluate existing classifications and propose a revised chronological framework with regionally appropriate types. This study provides a thorough background to eastern Idaho projectile points and contributes to broader discussions of projectile point typology and chronology in the Desert West, offering a robust tool for future archaeological research in the region.

99 - GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Image-Driven Hybrid Structural Analysis Based on Continuum Point Cloud Method with Boundary Capturing Technique

Conventional approaches for the structural health monitoring of infrastructures often rely on physical sensors or targets attached to structural members, which require considerable preparation, maintenance, and operational effort, including continuous on-site adjustments. This paper presents an image-driven hybrid structural analysis technique that combines digital image processing (DIP) and regression analysis with a continuum point cloud method (CPCM) built on a particle-based strong formulation. Polynomial regressions capture the boundary shape change due to the structural loading and precisely identify the edge and corner coordinates of the deformed structure. The captured edge profiles are transformed into essential boundary conditions. This allows the construction of a strongly formulated boundary value problem (BVP), classified as the Dirichlet problem. Capturing boundary conditions from the digital image is novel, although a similar approach was applied to the point cloud data. It was shown that the CPCM is more efficient in this hybrid simulation framework than the weak-form-based numerical schemes. Unlike the finite element method (FEM), it can avoid aligning boundary nodes with regression points. A three-point bending test of a rubber beam was simulated to validate the developed technique. The simulation results were benchmarked against numerical results by ANSYS and various relevant numerical schemes. The technique can effectively solve the Dirichlet-type BVP, yielding accurate deformation, stress, and strain values across the entire problem domain when employing a linear strain model and increasing the number of CPCM nodes. In addition, comparative analysis with conventional displacement tracking techniques verifies the developed technique’s robustness. The proposed technique effectively circumvents the inherent limitations of traditional monitoring methods resulting from the reliance on physical gauges or target markers so that a robust and non-contact solution for remote structural health monitoring in real-scale infrastructures can be provided, even in unfavorable experimental environments.

Chemistry↗
DOE OSTI2024

Economic and Jobs Impacts of Point-Source Carbon Capture in Cement Industry – Case Study

The cement industry accounts for an estimated 8% of global CO2 emissions, which surpasses that of the entire aviation sector. In contrast with other industries, where CO2 emissions can be drastically reduced via electrification or fuels substitution, cement production releases CO2 as part of its process, during the calcination of carbonates to yield oxides. Thus, point-source carbon capture has become a key technology in the cement industry’s decarbonization. Apart from the expected environmental benefits, point-source carbon capture in the cement industry can yield important economic benefits and create jobs. The objective of this study was to perform a preliminary assessment of the economic and workforce impacts associated with the construction and operation of a point-source carbon capture retrofit of an existing cement production facility, using as a basis the data from a front-end engineering design (FEED) study to install a 3.9 million metric tons per year (Mtpy) CO2 capture facility at Holcim Ste Genevieve cement plant in Missouri, United States of America. The advanced carbon capture technology used in this FEED study was Air Liquide’s Cryocap™ FG carbon capture technology. The study evaluated the direct, indirect, and induced economic impacts of the construction, operation, and maintenance activities of the project over its lifespan. It also covered how the project will generate new jobs, their nature, and quantity, along with strategies to prepare the workforce. To perform this study, construction, operation, and maintenance cost estimates, as well as construction and operation staffing plans from the FEED study were input into IMPLAN version 7.5 software, licensed by IMPLAN Group LLC (Huntersville, VC), to predict the direct, indirect and induced economic impacts of the project using industry multipliers from the software. Additionally, recruitment strategies were developed for hiring individuals who belong to groups that are historically underserved or underrepresented, as well as anticipated recruitment of workers from the local community (whether training will be required or if the skills are associated with an existing labor force). The analysis estimated that the construction and operation of the carbon capture at Holcim Ste. Genevive will result in over 24 thousand work-years of job opportunities, close to USD 10 billion of economic impacts, including over USD 460 million of tax revenue. These results encompass the direct, indirect, and induced effects. A strategy to maximize hiring from the project and neighboring counties was developed, leveraging training agreements with local trade groups and universities. The result of this study can be used for a strategic preliminary assessment of the potential regional economic and job impacts of retrofitting existing cement plants with point source carbon systems, and its methodology can be replicated to individual projects to aid in planning and workforce development.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

A Scalable Interior‐Point Gauss–Newton Method for PDE‐Constrained Optimization With Bound Constraints

Here, we present a scalable approach to solve a class of partial differential equation (PDE)‐constrained optimization problems with bound constraints. This approach utilizes a robust full‐space interior‐point (IP)‐Gauss–Newton optimization method. To cope with the poorly‐conditioned IP‐Gauss–Newton saddle‐point linear systems that need to be solved approximately, once per optimization step, we propose two spectrally related preconditioners. These preconditioners leverage the limited informativeness of data in regularized PDE‐constrained optimization problems. A block Gauss–Seidel preconditioner is proposed for the GMRES‐based solution of the IP‐Gauss–Newton linear systems. It is shown, for a large‐class of PDE‐ and bound‐constrained optimization problems, that the spectrum of the block Gauss–Seidel preconditioned IP‐Gauss–Newton matrix is asymptotically independent of discretization and is not impacted by the ill‐conditioning that notoriously plagues interior‐point methods. We exploit symmetry of the IP‐Gauss–Newton linear systems and propose a regularization and log‐barrier Hessian preconditioner for the preconditioned conjugate gradient (PCG)‐based solution of the equivalent IP‐Gauss–Newton–Schur complement linear systems. The eigenvalues of the block Gauss–Seidel preconditioned IP‐Gauss–Newton matrix, that are not equal to one, are identical to the eigenvalues of the regularization and log‐barrier Hessian preconditioned Schur complement matrix. The scalability of the approach is demonstrated on two example problems. The numerical solution of these optimization problems is shown to require a discretization independent number of IP‐Gauss–Newton linear solves. Furthermore, the linear systems are solved in a discretization and IP ill‐conditioning independent number of preconditioned Krylov subspace iterations. The parallel scalability of the preconditioner, achieved via algebraic multigrid component solvers when applicable, and the aforementioned algorithmic scalability permits a parallel scalable means to compute solutions of a large class of PDE‐ and bound‐constrained problems.

PDE-constrained optimization↗
DOE OSTI2025

Toward engineering lattice structures with the material point method (MPM)

This study examines the potential of two variants of the material point method—the generalized interpolation material point (GIMP) and dual domain material point (DDMP) methods—in developing a robust computational framework for engineering lattice structures under different loading conditions. The study begins with assessing the ability of the two methods in predicting elastic buckling phenomena using column geometries with and without initial geometric imperfections. The results indicate that both methods effectively capture buckling phenomena when initial geometric imperfections are introduced. After this verification step, we create several models of tetrahedral lattice structures with varying strut diameter and orientation and subject them to quasi-static loading. We then validate the numerical results using laboratory test results. The results show that, while both methods accurately predict load–displacement curves in the pre-buckling regime, their predictive capabilities diminish in the post-buckling regime. Through visual comparison between the numerical and experimental deformed shapes, it appears that the discrepancies between model and experimental results are attributed to initial geometric imperfections in the lattices that occurred during 3D printing. We then establish a second set of lattice models where different types of initial geometric imperfections are considered. The results from these models show that imperfections have a negligible influence in the pre-buckling regime but affect the behavior considerably in the post-buckling regime. As a final step in this work, we subject the lattice models to impact loading and employ hypothetical soft and stiff materials. These results show that the lattice stiffness, which depends on material stiffness, strut diameter, and orientation, significantly influences the ability of a lattice structure to resist impact. In particular, we find that a stiffer lattice (i.e., one made with a stiff material and thicker struts) is capable of absorbing more energy than a softer one during impact. Although material nonlinearities, inelasticity, and detailed contact formulations are not considered in this study, the findings obtained herein lay the groundwork for engineering lattice structures under extreme loading conditions through a simulation-driven framework based on particle-based methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Bubble Point Measurements of cis-1,1,1,4,4,4-Hexafluorobutene [R-1336mzz(Z)] + trans-1,2-Dichloroethene [R-1130(E)] mixtures

Saturation pressures of pure R-1336mzz(Z) and R-1130(E) and bubble point pressures of three R-1336mzz(Z)/1130(E) blends were measured from 265 K to 360 K. For each pure refrigerant or refrigerant blend, a total of twenty unique saturation pressures or bubble points were measured. In total 100 unique state points were obtained. Presently, no Helmholtz-energy-explicit type equation of state (EoS) is available for R-1130(E). While an extended corresponding states EoS for R-1130(E) is available to estimate the properties of the R-1336mzz(Z)/1130(E) blend, this model does not resolve the azeotropic behavior of the mixture. Therefore, the perturbed-chain statistical-associating fluid theory (PC-SAFT) EoS is used to model the vapor–liquid equilibria of the R-1336mzz(Z)/1130(E) blend. PC-SAFT model parameters are reported, and the overall performance of the model is characterized by deviations from the experimental data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Revisiting point defect thermodynamics in group IVB and VB transition metal carbides

We present a comprehensive re-examination of point defect thermodynamics in group IVB and VB transition metal carbides (TMCs) with the rocksalt structure using a combination of density functional theory (DFT) calculations and a statistical mechanical Wagner-Schottky model within the canonical ensemble. The most stable configurations of point defects were discovered using basin-hopping global optimization, driven by either a machine learning interatomic potential (MLIP) or DFT. A key finding is the identification of previously unreported dicarbon antisites—a C–C dimer occupying a metal site—as the structural (constitutional) defects on the carbon-rich side of stoichiometry in all group IVB and VB TMCs except TaC. Furthermore, dicarbon antisite-containing thermal defect complexes, such as quadruple and interbranch defects, can dominate in TMCs under specific stoichiometric and temperature conditions. In conclusion, by incorporating dicarbon antisites into the defect landscape, this work provides a revised understanding of the thermodynamics of point defects in TMCs.

Carbides↗
DOE OSTI2025

Active control of laser beam pointing for the Zettawatt-Equivalent Ultrashort pulse laser System: a proof-of-principle study with 16-inch optics

We present a proof-of-principle study of active beam-pointing control for the Zettawatt-Equivalent Ultrashort pulse laser System (ZEUS) using a piezo-actuated 16-inch mirror. To the best of our knowledge, this is the largest actively controlled mirror reported in a high-power laser system. A simple proportional feedback control was implemented based on a field-programmable gate array, which reduced the standard deviation of beam-pointing fluctuations by 91% to 0.075 μrad in the horizontal direction and by 78% to 0.25 μrad in the vertical direction. We also demonstrated the elimination of long-term pointing jitter caused by temperature drift using the same apparatus.

laser pointing control↗
DOE OSTI2026

Enhanced Second and Third Harmonic Generations in Metasurfaces Enabled through Point Group Design and Accidental Bound States in the Continuum

Here, we investigate enhanced second‑ and third‑harmonic generation (SHG and THG) in GaAs metasurfaces by combining electromagnetic point‑group designs with accidental bound states in the continuum (BICs). Using group theory, we predict the existence, suppression, and polarization selection rules of SHG and THG for metasurfaces belonging to the D 2h and C 2v point groups. In D 2h metasurfaces, inversion symmetry suppresses SHG while enabling polarization‑selective THG, which is strongly enhanced near accidental BICs with ultrahigh Q‑factors approaching 107. By breaking inversion symmetry to form C 2v metasurfaces through the introduction of nanogaps, SHG is now allowed and is dramatically enhanced near accidental BICs. Importantly, accidental BICs preserve polarization selection rules while providing a robust parameter range for high‑Q resonances, in contrast to quasi‑BICs induced by symmetry breaking. Our results demonstrate that the combination of point‑group theory and accidental‑BIC engineering offers a predictive and robust route toward highly efficient nonlinear metasurfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Characterization of core neutrals using passive measurements of the D α spectrum near the X -point in the DIII-D tokamak

New spectroscopic measurements of deuterium Balmer-α emission are used to infer the spatial distribution of neutral particles near the X-point in a diverted high confinement mode plasma. The charge exchange neutral spectroscopy (CENS) diagnostic—recently installed on the DIII-D tokamak—uses 15 lines of sight extending from the edge of the confined region (ρ ≈ 0.7) to the X-point in lower single-null plasmas. Each CENS line of sight is spectrally resolved around the deuterium Balmer-α wavelength (6561 Å) to measure the Doppler shift, line broadening, and intensity of Dα emission. Thermal line broadening is used to identify emission from neutrals undergoing charge-exchange (CX) with high temperature ions in the confined plasma. This spectral information allows a more accurate determination of the neutral density deeper inside the confined plasma compared to traditional filter-based diagnostics. We present two methods of analyzing CENS measurements: (1) fitting the spectrum from each view-chord separately, and (2) a tomographic method for inverting the neutral density over a 2D region of space using all CENS views collectively. The neutral density profile is found to decay exponentially in the radial direction with two scale-lengths. In the pedestal region the neutral density decays at a rate approximately equal to the local mean-free-path for CX collisions, $L_{n_\mathrm{D0}}\approx \lambda_\text{CX}$. Further inside the plasma the neutral density decays at a rate equal to the mean-free-path for ionization, $L_{n_\mathrm{D0}}\approx \lambda_\text{inz.}$. The separatrix $n_\mathrm{D0}$ value is found to be approximately $2\times10^{15}$ m−3. Based on results from the 2D inversion, the density of neutrals is found to increase along the separatrix approaching the X-point by a factor of $\approx 5\times$ over the region covered by the CENS diagnostic.

X-point neutrals↗
DOE OSTI2026

Algebraic Multigrid with Filtering: An Efficient Preconditioner for Interior Point Methods in Large-Scale Contact Mechanics Optimization

Large-scale contact mechanics simulations are crucial in many engineering fields such as structural design and manufacturing. In the frictionless case, contact can be modeled by minimizing an energy functional; however, these problems are often nonlinear, nonconvex, and increasingly difficult to solve as mesh resolution increases. In this work, we employ a Newton-based interior-point (IP) filter line-search method, an effective approach for large-scale constrained optimization. While this method converges rapidly, each iteration requires solving a large saddle-point linear system that becomes ill-conditioned as the optimization process converges, largely due to IP treatment of the contact constraints. Such ill-conditioning can hinder solver scalability and increase iteration counts with mesh refinement. Here, to address this, we introduce a novel preconditioner, algebraic multigrid with filtering (AMGF), tailored to the Schur complement of the saddle-point system. Building on the classical AMG solver, commonly used for elasticity, we augment it with a specialized subspace correction that filters near null space components introduced by contact interface constraints. Through theoretical analysis and numerical experiments on a range of linear and nonlinear contact problems, we demonstrate that the proposed solver achieves mesh independent convergence and maintains robustness against the ill-conditioning that notoriously plagues IP methods. These results indicate that AMGF makes contact mechanics simulations more tractable and broadens the applicability of Newton-based IP methods in challenging engineering scenarios. More broadly, AMGF is well suited for problems, optimization or otherwise, where solver performance is limited by a low-dimensional subspace, such as those arising from localized constraints, interface conditions, or model heterogeneities. This makes the method widely applicable beyond contact mechanics and constrained optimization.

Mathematics and Computing↗
DOE OSTI2024

Application Potential of a Dew-Point Cooling Tower in Selected Energy Intensive Applications in Temperate Climate

In the article, the application potential of the dew-point cooling tower (DPCT) in selected energy-intensive applications in temperate climates was analyzed and discussed. The applications selected for analysis are power generation with natural gas turbines and chilled water air conditioning systems. The study is based on a mathematical model derived from a modified ε-NTU model. The model was validated against experimental results and showed satisfactory agreement with the experimental data. DPCT was compared with a typical cooling tower limited by the wet-bulb temperature (wet-bulb cooling tower, WBCT). The simulation results showed that DPCT is able to provide significant energy savings in energy-intensive applications; therefore, its application potential in temperate climates can be considered justified. In the case of gas turbines, DPCT was able to generate 2 to 10 percentage points more capacity than operating on outdoor air and 1.8 to 5 percentage points more than operating with WBCT. In the case of air conditioning systems, the system equipped with DPCT achieved EERs (energy efficiency ratios) higher by 1 to 7.2 compared to dry cooling and by 0.3 to 5.1 compared to systems equipped with WBCT. The annual energy savings obtained by the system with DPCT were 14.7 MWh compared to WBCT and 30 MWh compared to dry cooling.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

On the Recoverability of Reactor Dynamics from Point Kinetics Data using SINDYc

Data driven models for reactor dynamics tend to face a few notable challenges. First, the broad range of timescales present across the various feedback mechanisms. Next, high standards for safety and importance of model performance in all operational domains. Finally, the correlations between state variables observed in most transients leads to difficulties when methods attempt to attribute certain dynamic phenomena to a particular cause. The current paper seeks to support efforts towards incorporating physics knowledge into one particular data-driven method for finding reactor dynamics called ``Sparse Identification of Nonlinear Dynamics with Control (SINDYc). The incorporation of physical knowledge into SINDYc will help address the challenges listed above by giving the model an initial understanding of the system being modeled. The demonstration of an exact representation of a set of point reactor dynamics equations in SINDYc is provided. Then, this allows for further discussion with mathematical justification as to why SINDYc, and other data-driven methods, may be difficult to apply to nuclear reactor dynamics due to correlations in the state variables. A particularly useful result of this work is the set of candidate functions required in SINDYc to exactly represent the reactor dynamics under a point approximation. In the future, SINDYc can be integrated with point models for reactor dynamics before being applied to the physical system to yield higher accuracy.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗