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DOE OSTI2026

A Critical Review of Heliostat Design for Concentrating Solar Thermal Technologies

Heliostat designs have undergone a widespread and eclectic development process, with many unique designs demonstrated. However, recent developments do not show the overall cohort converging toward a globally accepted universal design. Here, this study characterizes heliostats by breaking down and evaluating design traits based on emergent patterns from a comprehensive compilation of known heliostat designs spanning several decades. Four main categories for evaluation emerged: heliostat base, heliostat primary axis, heliostat drive, and facet support. Each of these four categories is further defined by four subtypes so that all heliostats fall into a single subtype within each category. The classified heliostats are ranked, yielding several view slices into the heliostat compilation or a breakdown of heliostats by type. An analysis of the breakdown shows several trends: a scale-up of established designs, new approaches at small to medium scales, and a movement toward greater adoption of linear drives. These trends reflect the most meaningful contributing factors to a proposed trajectory for a new era of heliostat designs striving to meet widely considered cost targets of $\$$50/m 2 or $\$$75/m 2 .

14 SOLAR ENERGY↗

DOE OSTI2023

ALESQP: An Augmented Lagrangian Equality-Constrained SQP Method for Optimization with General Constraints

Here we present a new algorithm for infinite-dimensional optimization with general constraints, called ALESQP. In short, ALESQP is an augmented Lagrangian method that penalizes inequality constraints and solves equality-constrained nonlinear optimization subproblems at every iteration. The subproblems are solved using a matrix-free trust-region sequential quadratic programming (SQP) method that takes advantage of iterative, i.e., inexact linear solvers, and is suitable for large-scale applications. A key feature of ALESQP is a constraint decomposition strategy that allows it to exploit problem-specific variable scalings and inner products. We analyze convergence of ALESQP under different assumptions. We show that strong accumulation points are stationary. Consequently, in finite dimensions ALESQP converges to a stationary point. In infinite dimensions we establish that weak accumulation points are feasible in many practical situations. Under additional assumptions we show that weak accumulation points are stationary. We present several infinite-dimensional examples where ALESQP shows remarkable discretization-independent performance in all of its iterative components, requiring a modest number of iterations to meet constraint tolerances at the level of machine precision. Also, we demonstrate a fully matrix-free solution of an infinite-dimensional problem with nonlinear inequality constraints.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Rapid Optimization of Total Variation with Applications in Imaging, Additive Manufacturing, and Qualification

Total Variation optimization penalizes the gradient of a control variable or state. While this work focuses on image processing in particular, it has also found applications in inverse problems and topology optimization. In image processing, the goal is to maintain faithfulness to the original image while denoising and/or deblurring. Additionally, bilevel optimization over the spatially varying regularization weights can illuminate interfaces such as damage regions and other anomalies. We will address two fundamental challenges with TV-optimization: (i) the typical slow convergence of existing TV-optimization methods, and (ii) the selection of spatially varying TV parameters to promote interface detection. Additionally, we will apply such techniques to image data collected in additive manufacturing. In said context, stochasticity in build events induces flaws in the manufactured piece, compromising the integrity of said part. There is a critical need for in-situ monitoring to spot anomalies once they form, and in this setting we apply our total variation and hyperparameter solvers. We will develop a customized algorithm based on for extreme-scale TV-optimization that achieves super-linear or quadratic-convergence, a critical property for real-time, image-by-image analysis. A worst-case outcome is a preprocessing step that enhances image quality in-situ, specifically for out-of-focus and noisy images.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Microstructure and 77K mechanical properties of electron beam welded Cu101- Inconel 625 joints

In developing large-scale next-generation superconducting radio frequency (SRF) linear accelerators using superconducting films on Cu, the design and development of dissimilar welding and joining metals, such as Cu to Inconel, stainless steel, and Nb, are essential. In this talk, we present the development of procedures for electron-beam welding of Cu¿Inconel 625 and evaluation of the microstructure and 77K mechanical properties of the weld and base material in the welded condition and heat treatments in the 750°C ¿950°C heat treatment range. The results will be presented in the context of developing joining techniques for low-temperature applications where high conductivity and strength, vacuum hygiene, and magnetic properties of the material need consideration. The methods presented here are being deployed to thin film SRF Cu cavities at Jefferson Lab. Acknowledgment: This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Nuclear

Khanal, Bashu↗

DOE OSTI2025

Steady-state mixing state of black carbon aerosols from a particle-resolved model

Abstract. Black carbon (BC) exerts a notable warming effect due to its strong light absorption, largely influenced by its “mixing state”. However, due to computational constraints, the mixing state is challenging to accurately represent in large-scale models. In this study, we employ a particle-resolved model to simulate the evolution of BC mixing state based on field observation. Our result shows that aerosol compositions, coating thickness (CT) distribution, and optical properties of BC aerosols all exhibit a tendency toward a steady state with a characteristic timescale of less than 1 d, considerably shorter than the BC atmospheric lifetime. The rapid attainment of a steady state suggests that it is reasonable to disregard this pre-steady-state period and instead concentrate on the average properties of BC across extensive spatial and temporal scales. The distribution of CT follows an exponential linear distribution and can be characterized by a single slope parameter k. This distribution is independent of the BC core's distribution. In the model simulation, the mean CT, equivalent to the 1/k, is 62 nm, which is consistent with the statistical results indicating a mean CT of 63 nm. Utilizing the slope parameter k, which effectively characterizes the CT distribution under the steady-state simplifying assumption, the BC absorption enhancement closely corresponds to the results obtained via the particle-resolved method. This study simplifies the BC mixing state description and yields a precise evaluation of the BC optical properties, which has the potential utility for modeling efforts in the refinement of the assessment of BC's radiative effects.

Zhang, Zhouyang↗

DOE OSTI2026

CoLoRe-2LPT: Lyman-$α$ mock catalogues for the validation of DESI cosmological analyses

The Lyman-$α$ (Ly$α$) forest has become a crucial probe for studying the large-scale structure of the universe at high redshift ($z > 2$), providing powerful constraints on Baryon Acoustic Oscillations (BAO) and the full-shape (FS) clustering of matter. As a key ingredient for upcoming BAO and FS analyses, we present a new generation of fast cosmological Ly$α$ mocks based on second-order Lagrangian perturbation theory (2LPT). These new mocks significantly improve upon previous log-normal approaches, both at accurately capturing small scale clustering and at recovering the non-linear broadening of the BAO peak. They are able to reproduce Ly$α$ statistics within $10\%$ of the latest DESI measurement; including the Ly$α$ bias and the redshift-space distortion $β$ parameter, mean transmitted flux, and 1D power spectrum. The corresponding quasar (QSO) clustering is also improved with respect to previous approaches, calibrated against high-resolution Abacus simulations, recovering the observational QSO linear bias to less than $5\%$ and improving redshift-space distortions via 2LPT velocities and the addition of Fingers-of-God effects. Furthermore, these mocks incorporate high column density systems and metal lines, allowing us to explore the effects and systematics induced by these astrophysical contaminants. This new set of mocks has been key for enhancing the modeling and validation of the DESI DR2 Ly$α$ full shape cosmological analysis. This work provides a physically motivated and computationally efficient tool for simulating current and next-generation Ly$α$ surveys and validating FS and BAO analysis.

Bernal, M.F. Ruiz-Herrera [Madrid, CIEMAT] (ORCID:↗

DOE OSTI2022

Stochastic Model for High Temperature Oxidation of Cr–Ni Austenitic Steels Assisted by Spallation

Abstract Cr–Ni austenitic steels offer significant high temperature corrosion protection by forming a surface oxide layer. However, above critical service conditions (temperature, atmosphere, thermal cycling), oxidized surface can experience intensive degradation because of scale spallation, which could be detrimental to the in-service life. To predict the effect of scale spallation on oxidation kinetics, a simulation was implemented using a stochastic model. The model considers topological parameters and intensity of spallation which can occur, while delivering a true oxidation constant. The experimental procedure identified the amount of formed spalled scale and topology of spallation based on the use of element mapping of the surface. This information was used to determine a true kinetic constant for a corresponding spallation intensity in oxidized Cr–Ni austenitic steel. To illustrate the capability of the stochastic model, a parametric analysis was performed. The model verified how the spallation parameters could change the oxidation processes from parabolic growth of an adhered oxide layer without spallation to a mixed linear-parabolic, or with a constant thickness of residual scale at high spallation intensity. The spallation model will be used in a separate article to characterize high temperature surface degradation of several Cr–Ni austenitic steels during harsh oxidation environments.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Recommendations on setup in simulating atmospheric gravity waves under conventionally neutral boundary layer conditions

Wind farm-induced atmospheric gravity waves have been the subject of recent research as they can impact wind farm performance. Pressure variations associated with gravity waves can contribute to the global blockage effect and wind farm wake recovery. Therefore, accurate numerical simulation of flow fields, where wind-farm-induced gravity waves may be produced, is important. Three main considerations in such simulations are the overall domain size, the use of Rayleigh damping near domain boundaries to dampen gravity waves, and advection damping at the inlet to prevent spurious oscillations. Often these considerations are treated ad hoc rather than systematically. This work aims to test and extend the systematic modelling of internal gravity waves proposed in a preliminary investigation to modelling of both internal and trapped gravity waves. The preliminary study identifies the length scales to set the domain and damping layer sizes and the time scale to configure the Rayleigh damping coefficient but under linearly stratified conditions. Large eddy simulations of flow through a wind farm canopy are performed under conventionally neutral boundary layer (CNBL) conditions to test the validity of proposed setups for CNBL conditions. Background atmospheric parameters, such as Froude number (Fr), inversion height (H i ), and inversion layer Froude number (Fr i ) control most of the atmospheric gravity wave characteristics. We validated for CBNL conditions that the effective wavelengths of the internal gravity waves are the correct length scale to configure the domain size and damping layer thickness. Likewise, the optimum damping coefficient to dampen the internal gravity waves relates to the free atmosphere's buoyancy frequency or buoyant perturbations' time scale. We infer that the damping coefficient in the inversion layer may relate to the inversion buoyancy frequency to effectively dampen the trapped gravity waves. Moreover, the advection damping length is linked to the horizontal wavelength of the trapped gravity waves in the inversion layer to prevent spurious waves at the inlet by retaining wave energy accumulation.

17 WIND ENERGY↗

DOE OSTI2026

An efficient explicit implementation of a near-optimal quantum algorithm for simulating linear dissipative differential equations

We propose an efficient block-encoding technique for the implementation of the Linear Combination of Hamiltonian Simulations (LCHS) for simulating dissipative initial-value problems. This algorithm approximates a target nonunitary operator as a weighted sum of Hamiltonian evolutions, thereby emulating a dissipative problem by mixing various time scales. We introduce an efficient encoding of the LCHS into a quantum circuit based on a simple coordinate transformation that turns the dependence on the summation index into a trigonometric function. Classically, this method is equivalent to the use of a highly accurate Fejér-Clenshaw-Curtis quadrature formula. Quantumly, this significantly simplifies block-encoding of a dissipative problem and allows one to perform an exponential number of Hamiltonian simulations by a single Quantum Signal Processing (QSP) circuit. The resulting LCHS circuit has high success probability and the selector scales logarithmically with the number of terms in the LCHS sum and linearly with time. Careful analysis of error convergence proves that this method is more efficient than other LCHS circuits that have recently appeared in the literature. We verify the quantum circuit and its scaling by simulating it on a digital emulator of fault-tolerant quantum computers and, as a test problem, solve the advection-diffusion equation. The proposed algorithm can be used for simulating a wide class of nonunitary initial-value problems including the Liouville equation with added dissipation and linear embeddings of nonlinear systems, such as the Koopman-von Neumann and Carleman embeddings.

Novikau, I [Lawrence Livermore National Laboratory↗

DOE OSTI2024

Global linear and nonlinear gyrokinetic simulations of tearing modes

Abstract To better understand multi-scale interactions between global tearing modes and microturbulence in the Madison Symmetric Torus (MST) reversed-field pinch (RFP), the global gyrokinetic code Gene is modified to describe global tearing mode instability via a shifted Maxwellian (SM) distribution consistent with experimental equilibria. The implementation of the SM is tested and benchmarked by comparisons with different codes and models. Good agreement is obtained in code-code and code-theory comparisons. Linear stability of tearing modes of a non-reversed MST discharge is studied. A collisionality scan is performed to the lowest order unstable modes ( n = 5, n = 6) and shown to behave consistently with theoretical scaling. The nonlinear evolution is simulated, and saturation is found to arise from mode coupling and transfer of energy from the most unstable tearing mode to small-scale stable modes mediated by the m = 2 tearing mode. The work described herein lays the foundation for nonlinear simulation and analysis of the interaction of tearing modes and gyroradius-scale instabilities in RFP plasmas.

Physics↗

DOE OSTI2020

Thermodynamics and Structure of Poly[n]catenane Melts.

Motivated by recent achievements in the synthesis of interlocking polymers, the structural features of poly[n]catenanes, polymers composed entirely of interlocking rings (or macrocycles), are studied by extensive molecular dynamics simulations in the melt state. The degree of polymerization (number of links) is varied from n = 1 25 and the number of beads per macrocycle is varied from m = 15-50; the results are compared to linear chains of degrees of polymerization N = 15-175. The mechanical bonds in the system cause significant topological contributions to the pressure and potential energy density not seen in other polymer systems. The polymers themselves possess many unusual structural features at short and intermediate length scales, which can be attributed to density inhomogeneities along the polymer contour. Furthermore, the conformations of the individual macrocycles within poly[n]catenanes are quite different from those of ordinary ring polymers and depend on the topology of the macrocycle, that is, whether it is threaded by one ring (chain end) or two (chain center). At larger length scales, the poly[n]catenanes are conformationally similar to ideal linear chains, but unlike traditional (covalent) polymers, they are highly globular at low degrees of polymerization and are extremely flexible relative to their size, which inhibits interchain entanglement. Implications for poly[n]catenane material properties and synthesis are discussed.

Rauscher, Phillip M.↗

DOE OSTI2023

Non-local contribution from small scales in galaxy–galaxy lensing: comparison of mitigation schemes

ABSTRACT Recent cosmological analyses with large-scale structure and weak lensing measurements, usually referred to as 3 × 2pt, had to discard a lot of signal to noise from small scales due to our inability to accurately model non-linearities and baryonic effects. Galaxy–galaxy lensing, or the position–shear correlation between lens and source galaxies, is one of the three two-point correlation functions that are included in such analyses, usually estimated with the mean tangential shear. However, tangential shear measurements at a given angular scale θ or physical scale R carry information from all scales below that, forcing the scale cuts applied in real data to be significantly larger than the scale at which theoretical uncertainties become problematic. Recently, there have been a few independent efforts that aim to mitigate the non-locality of the galaxy–galaxy lensing signal. Here, we perform a comparison of the different methods, including the Y-transformation, the point-mass marginalization methodology, and the annular differential surface density statistic. We do the comparison at the cosmological constraints level in a combined galaxy clustering and galaxy–galaxy lensing analysis. We find that all the estimators yield equivalent cosmological results assuming a simulated Rubin Observatory Legacy Survey of Space and Time (LSST) Year 1 like set-up and also when applied to DES Y3 data. With the LSST Y1 set-up, we find that the mitigation schemes yield ∼1.3 times more constraining S8 results than applying larger scale cuts without using any mitigation scheme.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Potential quantum advantage for simulation of fluid dynamics

Numerical simulation of turbulent fluid dynamics needs to either parametrize turbulence—which introduces large uncertainties—or explicitly resolve the smallest scales—which is prohibitively expensive. Here, we provide evidence through analytic bounds and numerical studies that a potential quantum speedup can be achieved to simulate fluid dynamics using quantum computing. Specifically, we provide a lattice Boltzmann formulation of fluid dynamics for which we give evidence that low-order Carleman linearization is much more accurate than previously believed for these systems. This is achieved via a combination of reformulating the Navier-Stokes nonlinearity (u·$\triangledown$u) to lattice-Boltzmann nonlinearity (u 2 ) and accurately linearizing the dynamical equations, which effectively trades nonlinearity for additional degrees of freedom that add negligible expense in the quantum solver. Based on this, we apply a quantum algorithm for simulating the Carleman-linearized lattice Boltzmann equation and provide evidence that its cost scales logarithmically with system size compared with polynomial scaling in the best known classical algorithms. In this paper, we suggest that a quantum advantage may exist for simulating fluid dynamics, paving the way for simulating nonlinear multiscale transport phenomena in a wide range of disciplines using quantum computing.

42 ENGINEERING↗

DOE OSTI2026

Optimizing district energy systems by integrating Borehole Thermal Energy Storage Using a Mixed-Integer Linear Programming g-function framework with a Multi-Timescale Rolling Horizon method

Shallow geothermal has gained increasing attention in recent years; however, a reliable framework for its accurate incorporation into large-scale energy system optimization remains lacking. This study proposes a Mixed-Integer Linear Programming (MILP) framework combined with the g-function approach to integrate Borehole Thermal Energy Storage (BTES) technology into energy system optimization. Validation against a Modelica-based reservoir network simulation demonstrates that the proposed framework effectively captures the ground thermal response under varying energy loads and accurately estimates the borefield energy supply. To enhance scalability, a Rolling Horizon with Multi-Timescale (RH-MTS) method is further introduced, reducing computational time by 73 % for the 1-year optimization model with only minor loss of optimality. The framework is demonstrated through the case study of the UC Berkeley campus. Results indicate that BTES is a cost-effective and low-carbon solution: two borefields comprising 382 boreholes can meet 8.0 % and 6.6 % of the total campus heating and cooling demand, respectively, at an average energy rate of 0.70–0.77 USD/kWh and carbon intensity of 0.54 kg-CO2/kWh. Short-term analysis reveals a 35%–65% decline in BTES energy flow after 3–6 months of continuous heating/cooling operation, while long-term simulation shows that annual energy production of BTES can vary by up to 12.0 % after four years before stabilizing. Overall, this study develops a novel optimization framework that couples physics-based g-function method with MILP optimization framework, thereby advancing methodological development for shallow-geothermal integration and providing actionable guidance for BTES deployment in district-energy systems.

Yang, Jiahui↗

DOE OSTI2022

Evaluating Lyman- α constraints for general dark-matter velocity distributions: Multiple scales and cautionary tales

One of the most important observational constraints on possible models of dark-matter physics exploits the Lyman-α absorption spectrum associated with photons traversing the intergalactic medium. Because these data allow us to probe the linear matter power spectrum with great accuracy down to relatively small distance scales, finding ways of accurately evaluating such Lyman-α constraints across large classes of candidate models of dark-matter physics is of paramount importance. While such Lyman-α constraints have been evaluated for dark-matter models that give rise to relatively simple dark-matter velocity distributions, more complex models—particularly those whose dark-matter velocity distributions stretch across multiple scales—have recently been receiving increasing attention. In this paper, we undertake a study of the Lyman-α constraints associated with general dark-matter velocity distributions. Although such Lyman-α constraints are difficult to evaluate in principle, in practice there currently exist two classes of methods in the literature through which such constraints can be recast into forms which are easier to evaluate and which therefore allow a more rapid determination of whether a given dark-matter model is ruled in or out. Accordingly, we utilize both of these recasts in order to determine the Lyman-α bounds on different classes of dark-matter velocity distributions. Here we also develop a general method by which the results of these different recasts can be compared. For relatively simple dark-matter velocity distributions, we demonstrate that these two classes of recasts tend to align and give similar results. However, we find that the situation is far more complex for distributions involving multiple velocity scales: while these two classes of recasts continue to yield similar results within certain regions of parameter space, they nevertheless yield dramatically different results within precisely those regions of parameter space which are likely to be phenomenologically relevant. This, then, serves as a cautionary tale regarding the use of such recasts for complex dark-matter velocity distributions.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Chain Flexibility and Structure of a Polyimide Copolymer: Revisiting the Freely Rotating Chain Model

Poly(4–4′-oxydiphenylene-pyromellitimide)-based polyimides─trade name Kapton─have wide-ranging engineering applications owing to their thermal and mechanical stability, but little is known about underlying chain-level characteristics. While theoretical models have conceptualized Kapton as inflexible polycyclic rods separated by freely rotating diphenyl ether hinge groups, the model’s core predictions remain untested and subtleties of the relaxation behavior are missed, which atomistic modeling can resolve. To these ends, we examine all-atom Kapton structures in crystalline and glassy amorphous configurations using a DFT-validated class II force field. Constructing amorphous configurations is challenging, as the fused-ring-containing backbone has slow relaxation dynamics and scaling suggestive of entanglements even in oligomers. In conclusion, we find larger backbone rearrangements of the linear polycyclic segments about ether groups that are consistent with the rod-hinge picture on the monomer scale, whereas a ring rotation analysis suggests partially flexible rod-like segments and involves multiple facile rotational relaxation modes.

Liesen, Nicholas T. [Lawrence Livermore National L↗

DOE OSTI2026

The Linear Point Standard Ruler with DESI DR1 and DR2 Data

The linear point, a purely geometric feature in the monopole of the two-point correlation function, has been proposed as an alternative standard ruler. Compared to the peak in the correlation function, it is more robust to late-time nonlinear effects at the percent level. In light of improved simulations and high quality data, we revisit the robustness of the linear point and use it as an alternative to template-based fitting approaches typically used in BAO analyses. We present the linear point measurements on galaxy samples from the first and second data releases (DR1 and DR2) of the DESI survey. We convert the linear point into a dimensionless parameter $α_{iso,LP}$, defined as the ratio of the linear point in the fiducial cosmology and the observed value, analogous to the isotropic BAO scaling parameter $α_{iso}$ used in previous BAO measurements. Using the 2nd generation of AbacusSummit mock catalogs, we find that linear point measurements are more precise when calculated in the post-reconstruction regime with 15-60% smaller uncertainties than those pre-reconstruction. We find a systematic shift in the linear point measurements compared against the isotropic BAO measurements in mocks; we attribute this to the isotropic damping parameter responsible for smearing the linear point in the nonlinear regime. We propose a sample-dependent correction that mitigates the impact of late-time nonlinear effects. While this introduces a cosmology dependence in an otherwise model-independent measurement, this is necessary given the sub-percent precision dictated by current cosmological surveys. Comparing $α_{iso,LP}$ with isotropic BAO measurements made on the DESI DR1 and DR2 galaxy samples, we find excellent agreement after applying this correction, particularly post-reconstruction. We discuss future scope regarding cosmological inference with linear point measurements.

Uberoi, N. [Yale U.] (ORCID:0000000275179629)↗

DOE OSTI2025

Measuring and unbiasing the BAO shift in the Ly α forest with AbacusSummit

ABSTRACT The Dark Energy Spectroscopic Instrument (DESI) places sub- per cent constraints on measurements of the Baryon Acoustic Oscillation (BAO) scaling parameters from the Ly $\alpha$ forest. However, no systematic error budget stemming from non-linearities in the three-dimensional clustering of the Ly $\alpha$ forest is included in the DESI-Ly $\alpha$ analysis. In this work, we measure the size of the shift of the BAO peak using large Ly $\alpha$ forest mocks produced on the N-body simulation suite AbacusSummit, which adopt the Fluctuating–Gunn–Peterson Approximation (FGPA). Specifically, we measure the Ly $\alpha$ autocorrelation and the Ly $\alpha$-quasar cross-correlation functions. To mitigate the noise, we adopt a linear control variates technique, reducing the error bars by a factor of up to $\sim \sqrt{50}$ on large scales. From the autocorrelation, we detect a small positive shift in radial direction of $\Delta \alpha _{\parallel }= 0.35~{{\ \rm per\ cent}}$ at the 3$\sigma$ level and virtually no shift in the transverse direction, $\alpha _\perp$. From the cross-correlation, we see a similar shift to $\Delta \alpha _\parallel$, albeit with larger error bars, and a small negative shift, $\Delta \alpha _{\perp }=\sim$0.25 per cent, at the 2$\sigma$ level. We also make a connection with the Ly $\alpha$ forest effective field theory (EFT) framework and find that the one-loop EFT power spectrum yields unbiased measurements of the BAO shift parameters in radial and transverse direction for Ly $\alpha$ auto- and the Ly $\alpha$-quasar cross-correlation measurements. When using the one-loop EFT framework, we find that we can recover the BAO parameters without a shift, which has important implications for future Ly $\alpha$ forest analyses based on EFT. This work paves the way for novel full-shape analyses of the currently observing DESI and future surveys such as the PFS, WEAVE-QSO, and 4MOST.

Hadzhiyska, Boryana↗