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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 253 records · Page 14

Comparative Analysis of Model Predictive Control and MPC-Informed Rule-Based Control for Thermal Storage Operation in Ultra-Low Temperature 4th Generation District Heating Networks

The integration of thermal storage and heat pumps in district heating networks (DHNs) can significantly enhance operational flexibility and energy efficiency; however, the practical deployment of advanced control strategies is often hindered by forecasting requirements and computational complexity. This study presents a comparative analysis of thermal storage control strategies in an ultra-low-temperature fourth-generation DHN, focusing on the development of a simplified rule-based control (RBC) explicitly informed by Model Predictive Control (MPC) behavior. The proposed methodology systematically analyzes the charging and discharging decisions of an MPC-controlled system under ideal forecasting conditions and extracts recurrent control patterns as a function of key system variables, including outdoor temperature, thermal demand, and electricity price. These patterns are translated into a set of structured time- and condition-based rules, resulting in an MPC-informed RBC that embeds predictive insights while preserving implementation simplicity and operational transparency. The approach is validated on a realistic mixed-use urban district in Denver, Colorado, USA, equipped with a centralized air-source heat pump, distributed water-to-water heat pumps, and a central thermal storage unit. Results show that the tuned RBC attains approximately 96% of ideal MPC economic performance (-27% of costs), preserves values of technical and environmental indicators (reduction only of 2-3%), and substantially reduces complexity. Sensitivity analyses further demonstrate the robustness of the RBC under varying operational conditions (i.e., ambient temperature, electricity price). Overall, the study demonstrates that MPC-informed rule-based control represents an effective trade-off between control performance and real-world applicability, enabling the integration of additional system components while maintaining simplicity, robustness, and ease of implementation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Influence of Grafting Density and the Ionic Environment on the Structure of Zwitterionic Brushes

Zwitterionic polymer brushes possess a high potential for applications as surface coatings, e.g., in antifouling applications. Their complex association behavior due to the coexistence of oppositely charged groups on the same monomeric unit allows for a broad variation of polarity, hydrophilicity, and the antipolyelectrolyte effect with the variation of the surrounding environment. In this study, planar polysulfobetaine brushes were investigated with neutron reflectometry (NR) and neutron spin–echo spectroscopy under grazing incidence (GINSES) to explore the brush structure and its inner dynamics perpendicular to the substrate. In particular, the effects of the substrate–initiator system and ionic strength on the structure were investigated with neutron reflectometry and a swelling by a factor of 3–5 was found in the presence of aqueous NaCl and MgCl 2 solutions compared to the dry state. During the data analysis, the applicability of a model-free evaluation was also demonstrated for the investigated polysulfobetaine brushes. Furthermore, it was found with GINSES that in contrast to neutral brushes, these polysulfobetaine brushes do not show the typical concentration fluctuations in the nanosecond time range when partially swollen with salt-free water.

36 MATERIALS SCIENCE↗

Electronic Origin of Delicate Antiferromagnetism in Fe 𝑥 ⁢NbS 2

Among the family of intercalated transition-metal dichalcogenides (TMDs), Fe 𝑥 ⁢NbS 2 is found to possess unique current-induced resistive switching behaviors, tunable antiferromagnetic states, and a commensurate charge order, all of which are tied to a critical Fe doping of 𝑥 𝑐 = 1/3. However, the electronic origin of such extreme stoichiometry sensitivities remains unclear. Combining angle-resolved photoemission spectroscopy (ARPES) with density functional theory (DFT) calculations, we identify and characterize a dramatic eV-scale electronic restructuring that occurs across the 𝑥𝑐. Moment-carrying Fe 3⁢𝑑 𝑧 2 electrons manifest as narrow bands within 200 meV of the Fermi level, distinct from other transition metal intercalated TMD magnets. These states strongly hybridize with itinerant electrons in the TMD layer and rapidly lose coherence above 𝑥 𝑐 due to correlation-driven effects. This sudden quasiparticle decoherence collapses the Fe-Nb hybridization, which explicitly suppresses the out-of-plane effective Fe-Fe exchange interaction, driving the transformation of the magnetic ground state from an antiferromagnetic stripe phase to a zigzag phase. Furthermore, these observations resemble the exceptional electronic and magnetic sensitivity of strongly correlated systems, and demonstrate that quantifying orbital-specific hybridization via ARPES offers an alternative pathway to evaluate effective magnetic exchange in metallic magnets, complementing inelastic neutron and resonant x-ray scattering probes.

Angle-resolved photoemission spectroscopy↗

Topological phase transition without single particle gap closing in strongly correlated systems

Here, in this study, we show two models where changing topology does not necessarily close the bulk insulating charge gap as demanded in the standard noninteracting picture. From extensive determinantal and dynamical cluster quantum Monte Carlo simulations of the half-filled and quarter-filled Kane-Mele-Hubbard model, we show that, for sufficiently strong interactions at either half- or quarter-filling, a transition between topological and trivial insulators occurs without the closing of a charge gap. To shed light on this behavior, we illustrate that an exactly solvable model reveals that while the single-particle gap remains, the many-body gap does, in fact, close. These two gaps are the same in the noninteracting system but depart from each other as the interaction turns on. We purport that for interacting systems, the proper probe of topological phase transitions is the closing of the many-body rather than the single-particle gap.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Memory behavior of an MNS capacitor.

Metal-/Si nitride/-Si/MNS/ capacitor memory behavior due to high voltage pulses, discussing charge transfer, stored charge location and tunneling conduction

Oconnell, M.↗

Quantum-chemical modeling of smectite clays

A self-consistent charge extended Hueckel program is used in modeling isomorphic substitution of Al(3+) by Na(+), K(+), Mg(2+), Fe(2+), and Fe(3+) in the octahedral layer of a dioctahedral smectite clay, such as montmorillonite. Upon comparison of the energies involved in the isomorphic substitution, it is found that the order for successful substitution is as follows: Al(3+), Fe(3+), Mg(2+), Fe(2+), Na(+), which is equivalent to Ca(2+), and then K(+). This ordering is found to be consistent with experimental observation. The calculations also make it possible to determine the possible penetration of metal ions into the clay's 2:1 crystalline layer. For the cases studied, this type of penetration can occur at elevated temperatures into regions where isomorphic substitution has occurred with metal ions that bear a formal charge of less than 3+. The computed behavior of the electronic structure in the presence of isomorphic substitution is found to be similar to behavior associated with semiconductors.

Aronowitz, S.↗

Prediction of Battery Life and Behavior from Analysis of Voltage Data

A method for simulating charge and discharge characteristics of secondary batteries is discussed. The analysis utilizes a nonlinear regression technique where empirical data is computer fitted with a five coefficient nonlinear equation. The equations for charge and discharge voltage are identical except for a change of sign before the second and third terms.

Mcdermott, P. P.↗

Linear and non-linear studies of Alfven waves in space. Stationary and dynamic processes in magnetospheric plasmas

The Final Technical Report on linear and non-linear studies of Alfven waves in space is presented. Areas of research included relaxation of magnetotail plasmas with field-aligned currents; the equilibrium dayside magnetosphere; macroscale particle simulation of kinetic Alfven wave physics; ballooning stability of plasmas with sheared equilibrium flows; theory of the drift-mirror instability; collisionless tearing instability in magnetotail plasmas; and nonadiabatic behavior of the magnetic moment of a charged particle in a dipole magnetic field and the development of stochastic webs.

Bhattacharjee, A.↗

Plasma Emission Characteristics from a High Current Hollow Cathode in an Ion Thruster Discharge Chamber

The presence of energetic ions produced by a hollow cathodes operating at high emission currents (greater than 5A) has been documented in the literature. In order to further elucidate these findings, an investigation of a high current cathode operating in an ion thruster discharge chamber has been undertaken. Using Langmuir probes, a low energy charged particle analyzer and emission spectroscopy, the behavior of the near-cathode plasma and the emitted ion energy distribution was characterized. The presence of energetic ions was confirmed. It was observed that these ions had energies in excess of the discharge voltage and thus cannot be simply explained by ions falling out of plasma through a potential difference of this order. Additionally, evidence provided by Langmuir probes suggests the existence of a double layer essentially separating the hollow cathode plasma column from the main discharge. The radial potential difference associated with this double layer was measured to be of order the ionization potential.

Foster, John E.↗

Comparative Planetary Mineralogy: Co, Ni Systematics in Chromite from Planetary Basalts

Spinel is a minor but important phase in planetary basalts because its variable composition often reflects basalt petrogenesis. For example, complicated zoning trends in spinel can give clues to melt evolution [1], and V concentrations in chromite lend insight into magma oxygen fugacity (fO2) conditions [2]. Nickel and Co are two elements that are commonly used as a measure of melt fractionation, and their partitioning between olivine and melt is fairly well understood. Less clear is their partitioning into spinel, although [3] has explored Ni and Co systematics in experimental charges. This study documents Ni and Co behavior in early crystallizing spinel (chromite) from several planetary basalts in an attempt to compare our results with [3], and also gain insight into basalt evolution on the three planets.

Karner, J. M.↗

Microwave Imaging of Edge Conductivity in Graphene at Charge Neutrality and Quantum Hall States

Here, we report local conductivity imaging of edge states in monolayer graphene by millikelvin microwave impedance microscopy. At the charge-neutrality point, as the magnetic field increases, the local conductivity at the edge drops to zero more slowly than in the bulk. This behavior is consistent with the calculated spatial profile of the charge gap in the canted antiferromagnetic phase. For comparison, we also perform microwave imaging of integer quantum Hall states away from neutrality, which host dissipationless chiral edge channels. The evolution of the edge signal as a function of the bulk gap is fundamentally different between the Landau level filling factor 𝜈 = 0 and |𝜈| ≥ 1 integer quantum Hall states, which can be qualitatively explained by numerical simulations and theoretical analysis. Our results provide a comprehensive microscopic picture of the edge and bulk states as the Fermi level moves across the unique Landau-level spectrum of graphene.

Hall effect↗

Charged Defects in UO 2 Bulk and Surface: A First-Principles Study

Uranium dioxide (UO 2 ) is the primary fuel used in nuclear reactors. Under the extreme heat and radiation inside a reactor, this material inevitably develops defects in its crystal structure. To investigate the nature and behavior of these defects, DFT+U calculations were employed to investigate charged point defects in both bulk UO 2 and its most stable surface, the (111) plane. The formation of defects and their impact on the electronic structure were systematically examined. The results reveal that these defects introduce localized electronic states, alter magnetic behavior, and modify the structural properties. In general, such defects act as deep traps capable of capturing and retaining charge carriers. The stability of these defects depends strongly on the chemical environment and the position of the Fermi level. Surface defect calculations reveal that oxygen vacancies form more readily at the surface than in the bulk over a wide range of electron chemical potential, with subsurface oxygen vacancies being more stable than those in the top layer. Overall, the findings demonstrate how charged defects influence magnetism, transport, and stability in UO 2 , providing insights that may guide improvements in the safety and efficiency of nuclear fuel.

36 MATERIALS SCIENCE↗

Single and Dual-Solute Transport in Quaternary Ammonium-Functionalized Anion Exchange Membranes: Isolating the Impact of Water Volume Fraction

Membranes are essential components of photoelectrochemical CO 2 reduction cells (PEC-CRC), as they regulate solute transport and impact device efficiency. These cells are a promising approach for converting carbon dioxide into valuable chemicals. However, electrochemical reactions involve not just a single electrolyte; membrane transport typically includes multiple electrolytes. When a mixture of solutes is present, the presence of one solute in the membrane can impact the diffusion and sorption of other solutes. In complex systems where multiple solutes are diffusing simultaneously through a hydrated, dense polymer membrane, the resulting transport behavior is poorly understood. This study highlights the individual and two solute transport behavior of potassium formate, acetate, and bicarbonate ions in neutral membranes and quaternary ammonium-functionalized anion exchange membranes (AEMs) based on phenyl acrylate polymer backbones. By isolating the effect of water content, we emphasize how fixed charge density and solute-membrane interactions influence transport behavior. In neutral membranes, the diffusivity follows the order of potassium formate > potassium acetate > potassium bicarbonate. However, in AEMs, the order shifts due to changes in ion-membrane interactions, with potassium bicarbonate diffusivity surpassing that of potassium acetate. These results underscore the importance of ion exchange membranes and ion-membrane interaction in modulating transport properties, providing valuable insights for optimizing membranes in electrochemical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding Electric Vehicle Range and Charging Needs: Interactions Between Ambient Temperature, Commute Patterns, and State-of-Charge Usage

Electric vehicle (EV) performance can vary substantially under real-world operating conditions, particularly due to ambient temperature effects on energy consumption, battery behavior, and thermal management requirements. This study quantifies how weather conditions, daily driving patterns, and State-of-Charge (SOC) usage strategies jointly influence EV driving range, charging frequency, and overall energy efficiency. A detailed and experimentally validated Autonomie vehicle model is developed, integrating a powertrain, a mono-zonal cabin model, and a battery electro-thermal model. Three battery sizes (200-, 300-, and 400-mile homologated ranges) are assessed across five commute profiles (20–200 miles) and six ambient temperatures (−18 °C to 50 °C), including scenarios with and without preconditioning. Results show that extreme temperatures could significantly decrease the maximum achievable range by up to 55% in cold conditions (−18 °C) and 40% in hot conditions (50 °C), relative to moderate conditions. Larger battery packs retain a greater fraction of their nominal range under thermal stress, while smaller packs experience sharper relative penalties due to the higher contribution of thermal loads to total energy demand. The analysis further demonstrates that limiting operation to partial SOC windows (e.g., 80–20%), a common real-world practice, significantly reduces achievable range and increases charging frequency, particularly in cold weather. Thermal preconditioning while plugged in is shown to mitigate these effects for short trips, reducing energy consumption by up to 31% in hot conditions and 7% in cold conditions. The findings demonstrate how climate, SOC usage behavior, and thermal management jointly shape the practical driving capability of EVs, highlighting the importance of efficient thermal management and realistic user charging strategies for ensuring reliable EV operation across diverse climatic scenarios.

33 ADVANCED PROPULSION SYSTEMS↗

Performance of Li-Ion Cells Under Battery Voltage Charge Control

A study consisting of electrochemical characterization and Low-Earth-Orbit (LEO) cycling of Li-Ion cells from three vendors was initiated in 1999 to determine the cycling performance and to infuse the new technology in the future NASA missions. The 8-cell batteries included in this evaluation are prismatic cells manufactured by Mine Safety Appliances Company (MSA), cylindrical cells manufactured by SAFT and prismatic cells manufactured by Yardney Technical Products, Inc. (YTP). The three batteries were cycle tested in the LEO regime at 40% depth of discharge, and under a charge control technique that consists of battery voltage clamp with a current taper. The initial testing was conducted at 20 C; however, the batteries were cycled also intermittently at low temperatures. YTP 20 Ah cells consisted of mixed-oxide (Co and Ni) positive, graphitic carbon negative, LIPF6 salt mixed with organic carbonate solvents. The battery voltage clamp was 32 V. The low temperature cycling tests started after 4575 cycles at 20 C. The cells were not capable of cycling. at low temperature since the charge acceptance at battery level was poor. There was a cell in the battery that showed too high an end-of-charge (EOC) voltage thereby limiting the ability to charge the rest of the cells in the battery. The battery has completed 6714 cycles. SAFT 12 Ah cells consisted of mixed-oxide (Co and NO positive, graphitic carbon negative, LiPF6 salt mixed with organic carbonate solvents. The battery voltage clamp was for 30.8 V. The low temperature cycling tests started after 4594 cycles at 20 C. A cell that showed low end of discharge (EOD) and EOC voltages and three other cells that showed higher EOC voltages limited the charge acceptance at the selected voltage limit during charge. The cells were capable of cycling at 10 C and 0 C but the charge voltage limit had to be increased to 34.3 V (4.3 V per cell). The low temperature cycling may have induced poor chargeability since the voltage had to be increased to achieve the required charge input. The battery has completed 6226 cycles. MSA 10 Ah cells consisted of Co oxide positive, graphitic carbon negative, LiPF6 salt mixed with organic carbonate solvents. The battery voltage clamp was 30.8 V. The low temperature cycling tests were started after 2182 cycles at 20 C. The cells were capable of cycling at 10 C and 0 C. Like SAFT, the voltage limit on charge had to be increased to 36 V (4.5 V per cell). There was a cell (cell S/N 13) in the battery that showed poor performance features such as low EOD voltage and high EOC voltage. The battery has completed 3441 cycles. A reconditioning procedure that consisted of C15 charge to a taper current of C/100 and C/20 discharge improved the voltage behavior of SAFT and MSA cells with no significant effect on YTP cells. We have demonstrated that the charge operation with VT clamp at battery rather than at cell level is feasible for onboard Li-Ion battery operation.

Rao, Gopalakrishna M.↗

Calculating the space-charge-limited current density for nonplanar geometries by simulating the charge-free electric field

Calculating the space-charge-limited-current density (SCLCD) for a complicated diode geometry often requires computationally expensive particle-in-cell (PIC) codes. Here, this paper addresses this issue by using the charge-free electric field $E_0$ calculated using COMSOL Multiphysics to determine local and global SCLCD. The SCLCD obtained by using the surface average of $|E_0|^2$ on the cathode recovers theoretical results for one-dimensional (1D) planar, cylindrical, and tip-to-tip geometries in appropriate limits. We next compared tip-to-tip calculations with the SCLCD obtained using the PIC code Empire. The SCLCD calculated using COMSOL agreed well with Empire for flatter 1D tip-to-tip geometries and diverged with increasing sharpness. Physically, Empire predicts lower SCLCD than COMSOL because the electrons spread due to concentrated space-charge at the tip, whereas theory assumes that the electrons follow the charge-free electric field lines. We further assess the behavior of the SCLCD for tips protruding from the centers of flat, circular plates of various areas. Larger plate areas with constant tip size recover the 1D planar SCLCD globally and 1D tip-to-tip SCLCD locally, while reducing the difference between Empire and COMSOL calculations since larger plates capture more of the emitted electrons, reducing SCLCD suppression due to beam spreading. These results show that charge-free electric field simulations can be used to determine the SCLCD without needing to simulate particle dynamics in PIC.

Wright, Jack K. [Purdue Univ., West Lafayette, IN ↗

"Coulombic Viscosity" In Granular Materials: Planetary and Astrophysical Implications

The term "Coulombic viscosity" is introduced here to define an empirically observed phenomenon from experiments conducted in both microgravity, and in ground-based 1-g conditions. In the latter case, a sand attrition device was employed to test the longevity of aeolian materials by creating two intersecting grain-circulation paths or cells that would lead to most of the grain energy being expended on grain-to-grain collisions (simulating dune systems). In the areas in the device where gravitationally-driven grain-slurries recycled the sand, the slurries moved with a boundary-layer impeded motion down the chamber walls. Excessive electrostatic charging of the grains during these experiments was prevented by the use of an a.c. corona (created by a Tesla coil) through which the grains passed on every cycle. This created both positive and negative ions which neutralized the triboelectrically-generated grain charges. When the corona was switched on, the velocity of the wall-attached slurries increased by a factor of two as approximately determined by direct observation. What appeared to be a freely-flowing slurry of grains impeded only by intergranular mechanical friction, had obviously been significantly retarded in its motion by electrostatic forces between the grains; with the charging reduced, the grains were able to move past one another without a flow "viscosity" imposed by the Coulombic intergranular forces. A similar phenomenon was observed during microgravity experiments aboard Space Shuttle in USML-1 & USML-2 spacelabs where freely-suspended clouds of sand were being investigated for their potential to for-m aggregates. In this environment, the grains were also charged electrostatically (by natural processes prior to flight), but were free from the intervention of gravity in their interactions. The grains were dispersed into dense clouds by bursts of air turbulence and allowed to form aggregates as the ballistic and turbulent motions damped out. During this very brief (30-60 sec) damping period, motion of the grains was observed to be retarded by the electrostatic interactions. The fact that the grains almost instantly formed aggregates was evidence that their ballistic motions had been constrained and redirected by the dipole-dipole interactions that led to filamentary aggregate development. Undoubtedly, the "Coulombic viscosity" of the cloud assisted in damping grain motion so rapidly. The electrostatically-induced grain-cloud viscosity or drag exerted on grain motion, is a complex function of three major parameters: charge magnitude, charge sign, and mean intergranular distance. The above experiments illustrate one particular type of granular behavior. The discussion here will therefore be restricted to drag relationships: (a) between grains that are naturally charged triboelectrically and thus exhibit dipole-dipole attractions between one another even if there are slight net charges present (which can be overwhelmed by dipole coupling at short distances), and (b) between grains that are densely spaced where the intergranular distance varies between zero and some value (usually tens or hundreds of grain diameters) that permits each grain to detect the dipole moment of another grain -- the distance is not so great that other grains appears as neutral electrical "singularities. I. Aeolian transport: During motion of grains in a saltation cloud (on Earth, Mars, or Venus), triboelectric charging must occur as a result of multiple grain contacts, and by friction with the entraining air. A situation might develop that is similar to the one described above in the attrition device: grain motion becoming significantly retarded (reduced flux) as grains find it increasingly difficult to either separate from the surface, or to pass one another without Coulombic retarding forces. A "Coulombic drag" will exist at flux initiation and increase with time to work in direct opposition to the aerodynamic drag that drives the grain motion. It is predicted that this will lead to an increase with time of both the aerodynamic and bed-dilatancy thresholds (3). Because of Paschen discharge effects in the martian atmosphere, the electrostatic charging in a saltation cloud may be partially abated, but this will lead to greater grain mobility, more charging, and thus to a charge-discharge steady state mediated by mechanical interactions. II. Dry colluvial systems: Sand avalanches on dunes, dry debris flows, talus flows, avalanches, and pyroclastic surges are examples of gravity-driven, dense granular flows where rock/grain fragmentation and grain-to-grain interactions cause triboelectrification (sometimes augmented by other electrical charging processes), and where the grain densities of the systems are such that strong dipole-dipole interactions between grains might be expected to be present. Because it is expected that the Coulombic forces between grains will cause a sluggishness or enhanced granular-flow viscosity, the motion of a grain mass will be retarded or damped so that this will assist, ultimately, in terminating the flow. The greatest Coulombic viscosity will be created in the most highly charged systems, which will also be the most energetic. Thus, grain flows have some tendency to be self-limiting by internal energy partitioning; gravitational potential is converted to Coulombic potential, which manifests itself as a drag force between the grains. III. Volcanic eruption plumes and impact ejecta curtains: The violence of these systems leads to powerful electrical charging of particulates. Lightning storms emanating from volcanic plumes are a testimony to the levels of charging. As pyroclastic grains interact forcefully and frequently within eruption plumes, it is reasonable to predict that the internal turbulent motions of the plume will be significantly damped by the Coulombic viscosity exerted by grain charges. Additional information is contained in the original.

Marshall, J. R.↗