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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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Extending the single-fluid solvability conditions for more general plasma systems

We extend the single-fluid solvability conditions to include plasma systems at arbitrary $\beta$ with arbitrary flows and external forcing terms. This treatment includes both the isotropic and the anisotropic cases. The generalized conditions that result can be used to generate certain classes of single-fluid equilibria.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A most misunderstood conditionally-solvable quantum-mechanical model

Highlights: • The Schrödinger equation for some quantum-mechanical models is separable in cylindrical coordinates. • The radial equation exhibits harmonic, linear and Coulomb-like interactions. • The Frobenius method leads to three-term recurrence relations. • Some particular energies are obtained from truncation of the recurrence relation. • Many authors misunderstood these results. In this paper we show that several authors have derived wrong physical conclusions from a gross misunderstanding of the exact eigenvalues and eigenfunctions of a conditionally-solvable quantum-mechanical model. It consists of an eigenvalue equation with seemingly Coulomb, linear and harmonic terms. Here we compare the results derived by those authors with the actual eigenvalues of the models calculated by means of the Ritz variational method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A data-driven peridynamic continuum model for upscaling molecular dynamics

Nonlocal models, including peridynamics, often use integral operators that embed lengthscales in their definition. However, the integrands in these operators are difficult to define from the data that are typically available for a given physical system, such as laboratory mechanical property tests. In contrast, molecular dynamics (MD) does not require these integrands, but it suffers from computational limitations in the length and time scales it can address. To combine the strengths of both methods and to obtain a coarse-grained, homogenized continuum model that efficiently and accurately captures materials’ behavior, we propose a learning framework to extract, from MD data, an optimal Linear Peridynamic Solid (LPS) model as a surrogate for MD displacements. To maximize the accuracy of the learnt model we allow the peridynamic influence function to be partially negative, while preserving the well-posedness of the resulting model. To achieve this, we provide sufficient well-posedness conditions for discretized LPS models with sign-changing influence functions and develop a constrained optimization algorithm that minimizes the equation residual while enforcing such solvability conditions. This framework guarantees that the resulting model is mathematically well-posed, physically consistent, and that it generalizes well to settings that are different from the ones used during training. We illustrate the efficacy of the proposed approach with several numerical tests for single layer graphene. Our two-dimensional tests show the robustness of the proposed algorithm on validation data sets that include thermal noise, different domain shapes and external loadings, and discretizations substantially different from the ones used for training.

homogenization↗

Integrable multistate Landau–Zener models with parallel energy levels

In this paper, we discuss solvable multistate Landau–Zener (MLZ) models whose Hamiltonians have commuting partner operators with ~1/τ-time-dependent parameters. Many already known solvable MLZ models belong precisely to this class. We derive the integrability conditions on the parameters of such commuting operators, and demonstrate how to use such conditions in order to derive new solvable cases. We show that MLZ models from this class must contain bands of parallel diabatic energy levels. The structure of the scattering matrix and other properties are found to be the same as in the previously discussed completely solvable MLZ Hamiltonians.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

MIDAS-DC-AC Tool: Fully Automating the Acquisition of AC Power Flow Solution (MIDAS-DC2AC)

MIDAS DC2AC is an automated tool for achieving a converged AC power flow solution from any dispatch, e.g., determined using DC power flow model based optimal power flow. The entire process is free of human interference. It is usually encountered in practice that, even with a DC power flow solution, acquiring the solved AC power flow solution, if exists, sometimes could be a challenging task, especially during the planning stage. It is also difficult to distinguish the unsolvable cases from diverging iterations. Manual adjustments to approach the desired power flow condition has been largely relied on in the past using lots of engineering heuristics. This tool provides a systematic way to first achieve a solvable AC power flow case by modifying the power flow condition, and then try to track the AC power flow solution while gradually removing the adopted changes. If all adopted changes can be completely removed, then the original AC power flow solution is obtained. Otherwise, insights for actionable controls are derived to help operation and planning. Currently, this tool has been implemented in Python using SIEMENS PTI PSS/E as power flow solver, where only adjusting generator terminal voltage set point is considered as an available means to try to turn an unsolved power flow to a solved one. In future, more means should be considered, including the operation of tap-changing transformers, switched shunts and redispatch of active power.

Tan, Jin↗

DC-AC Tool: Fully Automating the Acquisition of AC Power Flow Solution

DC2AC is an automated tool for achieving a converged AC power flow solution from any dispatch, e.g., determined using DC power flow model based optimal power flow. The entire process is free of human interference. It is usually encountered in practice that, even with a DC power flow solution, acquiring the solved AC power flow solution, if exists, sometimes could be a challenging task, especially during the planning stage. It is also difficult to distinguish the unsolvable cases from diverging iterations. Manual adjustments to approach the desired power flow condition has been largely relied on in the past using lots of engineering heuristics. This tool provides a systematic way to first achieve a solvable AC power flow case by modifying the power flow condition, and then try to track the AC power flow solution while gradually removing the adopted changes. If all adopted changes can be completely removed, then the original AC power flow solution is obtained. Otherwise, insights for actionable controls are derived to help operation and planning. Currently, this tool has been implemented in Python using SIEMENS PTI PSS/E as power flow solver, where only adjusting generator terminal voltage set point is considered as an available means to try to turn an unsolved power flow to a solved one. In future, more means should be considered, including the operation of tap-changing transformers, switched shunts and redispatch of active power.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Modeling the Strategic Behavior of an Active Distribution Network in the ISO Markets

With increasing integration of distributed energy resources (DERs), active distribution networks (ADNs) can actively participate in the electricity markets by dispatching their DERs, which can change the existing electricity market paradigm. It is essential to investigate the strategic behaviors of ADNs and their DER dispatch when they participate in the wholesale market as price-makers. This paper proposes a bi-level optimization model to study the strategic behavior of an ADN in both energy and reserve markets. The optimal scheduling of DERs in the ADN is modeled as the upper level problem and the joint energy and reserve market-clearing of the ISO is modeled as the lower-level problem. The two-level optimization models exchange bidding information and energy/reserve prices with each other. The proposed bi-Ievel optimization problem is converted to a mathematical programming with equilibrium constraints (MPEC) by using Karush-Kuhn Tucker (KKT) conditions and strong duality theory. Further, the MPEC problem is reformulated as a computationally-solvable mixed integer second order cone programming (MISOCP) model. The simulation results on an illustrative case demonstrate the impact of the strategic bidding of the ADN on the day-ahead energy and reserve market prices.

active distribution network↗

Modeling the Strategic Behavior of an Active Distribution Network in the ISO Markets

With increasing integration of distributed energy resources (DERs), active distribution networks (ADNs) can actively participate in the electricity markets by dispatching their DERs, which can change the existing electricity market paradigm. It is essential to investigate the strategic behaviors of ADNs and their DER dispatch when they participate in the wholesale market as price-makers. This paper proposes a bi-level optimization model to study the strategic behavior of an ADN in both energy and reserve markets. The optimal scheduling of DERs in the ADN is modeled as the upper level problem and the joint energy and reserve market-clearing of the ISO is modeled as the lower-level problem. The two-level optimization models exchange bidding information and energy/reserve prices with each other. The proposed bi-Ievel optimization problem is converted to a mathematical programming with equilibrium constraints (MPEC) by using Karush-Kuhn Tucker (KKT) conditions and strong duality theory. Further, the MPEC problem is reformulated as a computationally-solvable mixed integer second order cone programming (MISOCP) model. The simulation results on an illustrative case demonstrate the impact of the strategic bidding of the ADN on the day-ahead energy and reserve market prices.

Xue, Yaosuo↗

Ecosystem Water‐Saving Timescale Varies Spatially With Typical Drydown Length

Abstract Stomatal optimization theory is a commonly used framework for modeling how plants regulate transpiration in response to the environment. Most stomatal optimization models assume that plants instantaneously optimize a reward function such as carbon gain. However, plants are expected to optimize over longer timescales given the rapid environmental variability they encounter. There are currently no observational constraints on these timescales. Here, a new stomatal model is developed and is used to analyze the timescales over which stomatal closure is optimized. The proposed model assumes plants maximize carbon gain subject to the constraint that they cannot draw down soil moisture below a critical value. The reward is integrated over time, after being weighted by a discount factor that represents the timescale ( τ ) that a plant considers when optimizing stomatal conductance to save water. The model is simple enough to be analytically solvable, which allows the value of τ to be inferred from observations of stomatal behavior under known environmental conditions. The model is fitted to eddy covariance data in a range of ecosystems, finding the value of τ that best predicts the dynamics of evapotranspiration at each site. Across 82 sites, the climate metrics with the strongest correlation to τ are measures of the average number of dry days between rainfall events. Values of τ are similar in magnitude to the longest such dry period encountered in an average year. The results here shed light on which climate characteristics shape spatial variations in ecosystem‐level water use strategy.

54 ENVIRONMENTAL SCIENCES↗

Stochastic Strategic Participation of Active Distribution Networks With High-Penetration DERs in Wholesale Electricity Markets

With the increasing penetration of distributed energy resources (DERs), traditional distribution networks as load-serving entities in wholesale electricity markets, now evolve towards active distribution networks (ADNs) which can proactively participate in wholesale markets by optimally controlling the DERs in their networks. A stochastic bilevel optimization model is proposed in this paper for the strategic participation of ADNs and DERs to provide energy and grid services in wholesale electricity markets. The bilevel optimization model can capture the interactions between the ADN and the wholesale energy and ancillary service markets, considering the uncertainties of DERs in the ADN. In the upper-level model, the ADN makes optimal decisions on energy and reserve bidding considering the availability, uncertainties, and flexibility of DERs. The joint energy and reserve market-clearing of the independent system operator (ISO) is modeled as the lower-level problem. Using strong duality theory and Karush-Kuhn Tucker (KKT) conditions, the proposed bilevel optimization problem is reformulated as mathematical programming with equilibrium constraints (MPEC) problem and further converted into a computationally-solvable mixed-integer second-order-cone programming (MISOCP) model. The simulation results demonstrate the effectiveness of the model and the interactions between an ADN and wholesale electricity markets.

active distribution network↗

An explicitly solvable energy-conserving algorithm for pitch-angle scattering in magnetized plasmas

In this work, we develop an Explicitly Solvable Energy-Conserving (ESEC) algorithm for the Stochastic Differential Equation (SDE) describing the pitch-angle scattering process in magnetized plasmas. The Cayley transform is used to calculate both the deterministic gyromotion and stochastic scattering, affording the algorithm to be explicitly solvable and exactly energy conserving. An unusual property of the SDE for pitch-angle scattering is that its coefficients diverge at the zero velocity and do not satisfy the global Lipschitz condition. Consequently, when standard numerical methods, such as the Euler-Maruyama (EM), are applied, numerical convergence is difficult to establish. For the proposed ESEC algorithm, its energy-preserving property enables us to overcome this obstacle. We rigorously prove that the ESEC algorithm is order 1/2 strongly convergent. This result is confirmed by detailed numerical studies. For the case of pitch-angle scattering in a magnetized plasma with a constant magnetic field, the numerical solution is benchmarked against the analytical solution, and excellent agreements are found.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Solving k –SAT problems with generalized quantum measurement

We generalize the projection–based quantum measurement–driven k –SAT algorithm of Benjamin, Zhao, and Fitzsimons to arbitrary strength quantum measurements, including the limit of continuous monitoring. In doing so, we clarify that this algorithm is a particular case of the measurement–driven quantum control strategy elsewhere referred to as “Zeno dragging”. We argue that the algorithm is most efficient with finite time and measurement resources in the continuum limit, where measurements have an infinitesimal strength and duration. Moreover, for solvable k -SAT problems, the dynamics generated by the algorithm converge deterministically towards target dynamics in the long–time (Zeno) limit, implying that the algorithm can successfully operate autonomously via Lindblad dissipation, without detection. We subsequently study both the conditional and unconditional dynamics of the algorithm implemented via generalized measurements, quantifying the advantages of detection for heralding errors. These strategies are investigated first in a computationally–trivial 2-qubit 2-SAT problem to build intuition, and then we consider the scaling of the algorithm on 3-SAT problems encoded with 4–10 qubits. We numerically investigate the scaling of 3-SAT with respect to algorithmic runtime and find that the optimized time to solution scales with qubit number n as λ n , where λ is slightly larger than $\sqrt{2}$ for unconditional dynamics and less than $\sqrt{2}$ for conditional dynamics. We assess the implications for using this analog measurement–driven approach to quantum computing in practice.

quantum information↗

Twisted bilayer graphene. VI. An exact diagonalization study at nonzero integer filling

Using exact diagonalization, we research the projected Hamiltonian with the Coulomb interaction in the eight flat bands of first magic angle twisted bilayer graphene. Employing the U(4) [U(4) × U(4)] symmetries in the nonchiral (chiral) flat band limit, we reduced the Hilbert space to an extent that allows for study around ν = ±3,±2,±1 fillings. In the first chiral limit w 0 /w 1 = 0, where w 0 (w 1 ) is the A A (AB) stacking hopping, we find that the ground states at these fillings are extremely well-described by Slater determinants in a so-called Chern basis, and the exactly solvable charge ±1 excitations found in Bernevig et al. [Phys. Rev. B 103, 205415 (2021)] are the lowest charge excitations up to system sizes 8 × 8 (for restricted Hilbert space) in the chiral-flat limit. We also find that the flat metric condition (FMC) used by Bernevig et al. [Phys. Rev. B 103, 205411 (2021)], Song et al. [Phys. Rev. B 103, 205412 (2021)], Bernevig et al. [Phys. Rev. B 103, 205413 (2021)], Lian et al. [Phys. Rev. B 103, 205414 (2021)], and Bernevig et al. [Phys. Rev. B 103, 205415 (2021)] for obtaining a series of exact ground states and excitations holds in a large parameter space. For ν = -3, the ground state is the spin and valley polarized Chern insulator with ν C = ±1 at w 0 /w 1 ≲ 0.9 (0.3) with (without) FMC. At ν = -2, we can only numerically access the valley polarized sector, and we find a spin ferromagnetic phase when w 0 /w 1 ≳ 0.5 t where t ϵ [0,1] is the factor of rescaling of the actual TBG bandwidth, and a spin singlet phase otherwise, confirming the perturbative calculation [Lian. et al., Phys. Rev. B 103, 205414 (2021), Bultinck et al., Phys. Rev. X 10, 031034 (2020)]. The analytic FMC ground state is, however, predicted in the intervalley coherent sector which we cannot access [Lian et al., Phys. Rev. B 103, 205414 (2021), Bultinck et al., Phys. Rev. X 10, 031034 (2020)]. For ν = -3 with/without FMC, when w 0 /w 1 is large, the finite-size gap Δ to the neutral excitations vanishes, leading to phase transitions. Further analysis of the ground state momentum sectors at ν = -3 suggests a competition among (nematic) metal, momentum M M (π) stripe and K M -CDW orders at large w 0 /w 1 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Infinite temperature at zero energy

We construct a family of static, geometrically local Hamiltonians that inherit eigenstate properties of periodically-driven (Floquet) systems. Our construction is a variation of the Feynman-Kitaev clock -- a well-known mapping between quantum circuits and local Hamiltonians -- where the clock register is given periodic boundary conditions. Assuming the eigenstate thermalization hypothesis (ETH) holds for the input circuit, our construction yields Hamiltonians whose eigenstates have properties characteristic of infinite temperature, like volume-law entanglement entropy, across the whole spectrum -- including the ground state. We then construct a family of exactly solvable Floquet quantum circuits whose eigenstates are shown to obey the ETH at infinite temperature. Combining the two constructions yields a new family of local Hamiltonians with provably volume-law-entangled ground states, and the first such construction where the volume law holds for all contiguous subsystems.

FOS: Physical sciences↗

Analysis of nonlinear features associated with radio-frequency sheaths

An analytic study is conducted of nonlinear features that arise when radio-frequency (RF) sheath boundary conditions are solved self-consistently with the electromagnetic fields in a magnetized plasma. An instability associated with RF sheath–plasma interactions is identified and shown to be closely linked with sheath–plasma resonance and the occurrence of multiple solutions. It is proposed that this instability serves as a physical mechanism that enables jumping from one solution branch to another, providing a physical basis for the prediction of an RF sheath hysteresis in the time domain. It is further shown that this instability can lead to non-intuitive features such as spontaneous symmetry breaking in an otherwise completely symmetric problem. In plane-stratified geometry, two analytically solvable examples are considered for the cases of an unbounded half-space and a bounded domain

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Scrambling Dynamics with Imperfections in a Solvable Model

We study how probes of quantum scrambling dynamics respond to two kinds of imperfections -- unequal forward and backward evolutions and decoherence -- in a solvable Brownian circuit model. We calculate a ``renormalized'' out-of-time-order correlator (ROTOC) in the model with $N$ qubits, and we show that the circuit-averaged ROTOC is controlled by an effective probability distribution in operator weight space which obeys a system of $N$ non-linear equations of motion. These equations can be easily solved numerically for large system sizes which are beyond the reach of exact methods. Moreover, for an operator initially concentrated on weight one $w_0=1$, we provide an exact solution to the equations in the thermodynamic limit of many qubits that is valid for all times, all non-vanishing perturbation strengths $p\gtrsim 1/\sqrt{N}$, and all decoherence strengths. We also show that a generic initial condition $w_0 >1$ leads to a metastable state that eventually collapses to the $w_0=1$ case after a lifetime $\sim \log(N/w_0)$. Our results highlight situations where it is still possible to extract the unperturbed chaos exponent even in the presence of imperfections, and we comment on the applications of our results to existing experiments with nuclear spins and to future scrambling experiments.

FOS: Physical sciences↗

Produced Water and Waste Heat-aided Blowdown Water Treatment: Using Chemical and Energy Synergisms for Value Creation

The project objective was to develop a cooling blowdown water (BDW) treatment process utilizing produced water (PW) and low-grade heat to maximize water reuse and saleable by-product generation while reducing chemical and energy footprints of the treatment. The proposed treatment process consists of mixing, softening, organics and suspended solids removal, reverse osmosis (RO), thermal desalination, and brine electrolysis. BDW samples collected from a local coal-fired power plant and PW samples from two shale gas production wells were used in this study. Each treatment unit was first designed and tested to quantify its treatment efficiency, and its chemical and energy requirements. In addition, a process model was developed and model simulations were conducted based on the experimental results and literature data to optimize the treatment process. A techno-economic analysis was conducted to quantify chemical and energy savings as well as production of 10-lb brine as a saleable product. With the field-collected BDW and PW samples, mixing experiments determined a volumetric mixing ratio 10:1 (BDW:PW) resulted in the best performance of multivalent ions removal and largest chemical savings for softening. Softening of the BDW/PW mixtures using alkaline chemicals (Na 2 CO 3 and NaOH) achieved 95%-100% removal of scaling-forming cations (Ca, Mg, Fe, Ba, Sr) and 60% of silicon, and 10% of total organic carbon (TOC). The mixing and softening treatments yielded an effluent with total dissolved solids (TDS) concentration of 23 g/L. Activated carbon (AC) filtration removed TOC to a low level (< 3 mg/L) and further removed remaining scale-forming divalent metals and silica from the softened water. The AC filtration resulted in a slight reduction of TDS from 23 g/L to 20 g/L, leaving behind only mostly monovalent ions (i.e., sodium and chloride) in the filtered water. These pretreatments yielded a feed water that met the criteria of the downstream reverse osmosis (RO) to prevent membrane fouling. A cross-flow RO system was used to further concentrate the TDS of the AC effluent. Various factors including TDS, pH, and applied pressure were examined and optimal conditions were determined for the co-treatment process. An integrated process consisting of mixing, softening, AC filtration and RO was used to treat a continuous flow (0.25 – 1.2 L/min, or 0.07 – 0.32 gpm) and successfully generated RO permeate as product water (TDS < 0.5 g/L) for reuse in cooling operation, and a concentrate (TDS ~ 45 g/L) to be further treated in a thermal desalination unit. These flow rates meet the FOA’s criterion of 0.01 – 1 gpm. Overall, the co-treatment of BDW/PW allowed shorter ramp-up time compared to treatment of BDW alone. It resulted in 40% and 55% savings of Na 2 CO 3(s) and NaOH, respectively, compared to treating the BDW and PW individually for the same level of softening. The co-treatment also resulted in a 29% energy saving compared to treatment of BDW only for the level of TDS concentration. A thermal desalination system was designed using CFD simulations and manufactured in the WVU Innovation Hub for further treatment of the RO concentrate to generate 10-lb brine. The system has a design flow rate of 2 gpm and has been successfully tested. A bench-scale brine electrolysis system was developed for on-site generation of chlorine/hypochlorite (Cl 2 /OCl - ) and caustic soda (NaOH) as useful chemicals for the co-treatment process. Using salt solutions (0.5 M and 1 M), the system achieved faradaic efficiencies of 93%-97% and 70%-77% for caustic soda and chlorine/hypochlorite generation, respectively. An economic analysis showed that the electricity costs for on-site generation of these chemicals were significantly lower than the chemical prices offered by suppliers. An industrial-scale process model consisting of mixing, softening, AC filtration, RO, thermal desalination, and brine electrolysis was developed using the Aspen Plus V9 in conjunction with Aspen Custom Modeler V9. The model serves as a solvable Aspen Plus model and as basis to form the costing infrastructure. In addition, techno-economic analysis considering capital, operating, and transportation costs was conducted. An optimization solution showed that produced water for mixing is still advantageous in low quantities. The optimum solution approaches a leveled cost of water (LCW) of 2 $/m 3 which becomes cost competitive with nominal water treatment prices.

20 FOSSIL-FUELED POWER PLANTS↗