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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 19 records

A machine learning approach for particle accelerator errant beam prediction using spatial phase deviation

Particle accelerators are extremely complex systems that are expected to operate on high availability. Predicting impending failures only by utilizing data collected from diagnostic equipment already on board can help operators to avoid installing expensive sensors, unscheduled downtime and associated costs. For this purpose we explore the predictive power of Machine Learning algorithms to detect faulty beams prior to the failure. In this study, we propose a Machine Learning approach to model mapping from a pair of sensors located across the accelerator. While the model is trained to represent normal operation, we evaluate the predictive performance on known faulty beam pulses. We also investigate the model performance on unseen data through k-fold cross-validation. Then we recap the analysis with a neural architecture search and hyperparameter optimization study to fine tune our initial model. In conclusion, this paper will also introduce a sustainable framework that can standardize Machine Learning workflow applied to particle accelerators.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Cesium-mediated electron redistribution and electron-electron interaction in high-pressure metallic CsPbI3

Abstract Electron-phonon coupling was believed to govern the carrier transport in halide perovskites and related phases. Here we demonstrate that electron-electron interaction enhanced by Cs-involved electron redistribution plays a direct and prominent role in the low-temperature electrical transport of compressed CsPbI 3 and renders Fermi liquid (FL)-like behavior. By compressing δ-CsPbI 3 to 80 GPa, an insulator-semimetal-metal transition occurs, concomitant with the completion of a slow structural transition from the one-dimensional Pnma (δ) phase to a three-dimensional Pmn 2 1 (ε) phase. Deviation from FL behavior is observed upon CsPbI 3 entering the metallic ε phase, which progressively evolves into a FL-like state at 186 GPa. First-principles density functional theory calculations reveal that the enhanced electron-electron coupling results from the sudden increase of the 5d state occupation in Cs and I atoms. Our study presents a promising strategy of cationic manipulation for tuning the electronic structure and carrier scattering of halide perovskites at high pressure.

36 MATERIALS SCIENCE↗

Solution-Grown Ternary Semiconductors: Nanostructuring and Stereoelectronic Lone Pair Distortions in I–V–VI 2 Materials

Alkali pnictogen dichalcogenides–I–V–VI 2 or APnCh 2 –have been identified as promising semiconducting materials for energy conversion devices. However, the controlled nanoscale synthesis and our understanding of the effects of cation ordering and stereochemically active lone pairs on the structures of these ternary compounds remain underdeveloped. Here, we use solution-phase chemistry to synthesize a family of APnCh 2 materials, including LiSbSe 2 , NaSbS 2 , NaSbSe 2 , NaBiS 2 , and NaBiSe 2 . Our approach utilizes alkali metal hydrides (AH) or carboxylates, A(O 2 CR), PnPh 3 , and elemental chalcogens as synthetic precursors and oleylamine or 1-octadecene as solvents. Synthetic manipulation via fine-tuning of reaction temperature enables control over the degree of ordering caused by the Sb 5s 2 lone pair-induced distortions in NaSbS 2 . Pair distribution function analysis demonstrates that the structure of the Sb-containing phases deviates much more from a disordered rock salt structure than that of the Bi-containing phases. This local distortion, induced by the Sb lone pair, leads to a previously unreported noncentrosymmetric NaSbS 2 crystal structure, which is additionally supported by second-harmonic generation measurements. Infrared and multinuclear solid-state NMR spectroscopies show that oleylamine or chelating carboxylates and, in some cases, unreacted precursors (LiH and PnPh 3 ) remain bound to the nanocrystalline surfaces. Further, a deeper understanding of the local atomic environment, long-range ordering, surface chemistry, and optoelectronic properties of these materials may speed up their fundamental study and application.

36 MATERIALS SCIENCE↗

A detailed analysis of the dynamics of fast neutrino flavor conversions with scattering effects

We calculate the dynamics of fast neutrino flavor conversions with Boltzmann collisions of neutrino scatterings in a homogeneous system. We find the enhancement or suppression of the flavor conversions in various setups of the collision terms. We analyze the mechanism of fast flavor conversions based on the motion of polarization vectors in the cylindrical coordinate analogous to a pendulum motion. The phases of the all the polarization vectors synchronize in the linear evolution phase, and the phase deviation from the Hamiltonian governs the neutrino flavor conversions. In a non-linear regime of flavor conversions, the collision terms induce a spiral motion of the polarization vector and gradually make the phase space smaller. The collision terms align all of the polarization vectors, and the flavor conversions eventually settle into equilibrium when the distributions of neutrinos become isotropic. Though our current analysis does not fully clarify the non-linear phenomena of fast flavor conversions, the framework of the pendulum motion gives a new insight into this complicated phenomenon that will be helpful in further studies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Resilience of the slow component in timescale separated synchronized oscillators

Physiological networks are usually made of a large number of biological oscillators evolving on a multitude of different timescales. Phase oscillators are particularly useful in the modelling of the synchronization dynamics of such systems. If the coupling is strong enough compared to the heterogeneity of the internal parameters, synchronized states might emerge where phase oscillators start to behave coherently. Here, we focus on the case where synchronized oscillators are divided into a fast and a slow component so that the two subsets evolve on separated timescales. We assess the resilience of the slow component by, first, reducing the dynamics of the fast one using Mori-Zwanzig formalism. Second, we evaluate the variance of the phase deviations when the oscillators in the two components are subject to noise with possibly distinct correlation times. From the general expression for the variance, we consider specific network structures and show how the noise transmission between the fast and slow components is affected. Interestingly, we find that oscillators that are among the most robust when there is only a single timescale, might become the most vulnerable when the system undergoes a timescale separation. We also find that layered networks seem to be insensitive to such timescale separations.

97 MATHEMATICS AND COMPUTING↗

Resilience of the slow component in timescale-separated synchronized oscillators

Physiological networks are usually made of a large number of biological oscillators evolving on a multitude of different timescales. Phase oscillators are particularly useful in the modelling of the synchronization dynamics of such systems. If the coupling is strong enough compared to the heterogeneity of the internal parameters, synchronized states might emerge where phase oscillators start to behave coherently. Here, we focus on the case where synchronized oscillators are divided into a fast and a slow component so that the two subsets evolve on separated timescales. We assess the resilience of the slow component by, first, reducing the dynamics of the fast one using Mori-Zwanzig formalism. Second, we evaluate the variance of the phase deviations when the oscillators in the two components are subject to noise with possibly distinct correlation times. From the general expression for the variance, we consider specific network structures and show how the noise transmission between the fast and slow components is affected. Interestingly, we find that oscillators that are among the most robust when there is only a single timescale, might become the most vulnerable when the system undergoes a timescale separation. We also find that layered networks seem to be insensitive to such timescale separations.

59 BASIC BIOLOGICAL SCIENCES↗

Encapsulation of Ba in InSb Framework Introduces Chirality in Clathrate-Like BaIn 4 Sb 4

The discovery of Zintl compounds remains a powerful strategy for identifying materials with tunable electronic and thermal transport properties. During a concerted search for new inorganic clathrates with In–Sb frameworks, we discovered BaIn 4 Sb 4 . The composition of this phase deviates from that expected for a type-I clathrate with tetrahedral coordination of all In and Sb atoms (Ba 8 In 31 Sb 15 ). Instead, in the chiral structure of BaIn 4 Sb 4 (space group P 3 1 21, No. 152), a part of the In atoms have a trigonal planar coordination of 1In + 2Sb, forming Sb 2 –In–In–Sb 2 nonplanar fragments isostructural to diborane(4) B 2 H 4 with D 2 d symmetry. Ba atoms are located inside 16-vertex In 8 Sb 8 polyhedra, which share vertices and edges to form a chiral framework around the 3 1 screw axes. The title compound is electron-balanced, [Ba 2+ ][In 2+ ] 2 [In 3+ ] 2 [Sb3–] 4 , which was confirmed by characterization of the charge and heat transport properties. BaIn 4 Sb 4 exhibits a low thermal conductivity and high Seebeck coefficient, suggesting its untapped potential for thermoelectric applications. Finally, density functional theory (DFT) calculations indicate that chemical doping may enhance carrier concentration and improve the originally low electrical conductivity, thus enhancing thermoelectric performance.

electrical properties↗

Large Angle Deviation in Grid-Following IBRs Upon Grid Voltage Dip

In the 2021 Texas Odessa large-scale solar PV tripping events, phase-locked-loop (PLL) loss of synchronism is identified as a major cause of solar PV tripping. When solar PVs detected a large phase angle deviation (e.g., 10 degrees), tripping commands were initiated. Here, the large phase angle deviation was triggered by a transmission line fault 200 miles away, which in turn led to approximately 30% voltage drop in the 345-kV system. This paper offers a plausible reason why grid-following inverter-based resources (IBRs) may experience a large angle deviation upon grid voltage dip. Critical operating conditions contributing to such phenomena are identified via analysis and their effects are demonstrated using electromagnetic transient (EMT) simulation. Furthermore, the effect of converter control, e.g., grid-following control vs. grid-forming control, is examined. It is found from EMT simulation results that frequency and voltage control are helpful in mitigating angle deviation. Furthermore, linear block diagrams are derived to examine why frequency control can effectively suppress large angle deviation.

14 SOLAR ENERGY↗

Ethane and methane at high pressures: Structure and stability

We have performed a combined experimental and theoretical study of ethane and methane at high pressures of up to 120 GPa at 300 K using x-ray diffraction and Raman spectroscopies and the USPEX ab initio evolutionary structural search algorithm, respectively. For ethane, we have determined the crystallization point, for room temperature, at 2.7 GPa and also the low pressure crystal structure (phase A). This crystal structure is orientationally disordered (plastic phase) and deviates from the known crystal structures for ethane at low temperatures. Moreover, a pressure induced phase transition has been identified, for the first time, at 13.6 GPa to a monoclinic phase B, the structure of which is solved based on good agreement with the experimental results and theoretical predictions. For methane, our x-ray diffraction measurements are in agreement with the previously reported high-pressure structures and equation of state (EOS). Finally, we have determined the EOSs of ethane and methane, which provides a solid basis for the discussion of their relative stability at high pressures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of interaction strength of associating groups on linear and star polymer dynamics

A small number of associating groups incorporated onto a polymer backbone have dramatic effects on the mobility and viscoelastic response of the macromolecules in melts. These associating groups assemble, driving the formation of clusters, whose lifetime affects the properties of the polymers. In this study, we probe the effects of the interaction strength on the structure and dynamics of two topologies, linear and star polymer melts, and further investigate blends of associative and non-associating polymers using molecular dynamics simulations. Polymer chains of approximately one entanglement length are described by a bead–spring model, and the associating groups are incorporated in the form of interacting beads with an interaction strength between them that is varied from 1 to 20 k B T. We find that, for all melts and blends, interaction of a few k B T between the associating groups drives cluster formation, where the size of the clusters increases with increasing interaction strength. These clusters act as physical crosslinkers, which slow the chain mobility. Blends of chains with and without associating groups macroscopically phase separate for interaction strength between the associating groups of a few k B T and above. For weakly interacting associating groups, the static structure function S(q) is well fit by functional form predicted by the random phase approximation where a clear deviation occurs as phase segregation takes place, providing a quantitative assessment of phase segregation.

36 MATERIALS SCIENCE↗

Recent Improvements in the Beam Capture at Fermilab Booster for High Intensity Operation

The Fermilab Booster uses multi-turn beam injection with all its cavities phased such that beam sees a net zero RF voltage even when each station is at the same maxi-mum voltage. During beam capture the RF voltage is increased slowly by using its paraphase system. At the end of the capture the feedback is turned on for beam acceleration. It is vital for present operations as well as during the PIP-II era that both the HLRF and LLRF systems provide the proper intended phase and RF voltage to preserve the longitudinal emittance from injection to extraction. In this paper, we describe the original architecture of the cavity phase distribution, our recent beam-based RF phase measurements, observed significant deviation in the relative phases between cavities and correction effort. Results from the improved capture for high intensity beam are also presented.

43 PARTICLE ACCELERATORS↗

Field-tuned ferroquadrupolar quantum phase transition in the insulator TmVO 4

We report results of low-temperature heat-capacity, magnetocaloric-effect, and neutron-diffraction measurements of TmVO 4 , an insulator that undergoes a continuous ferroquadrupolar phase transition associated with local partially filled 4 f orbitals of the thulium (Tm 3 + ) ions. The ferroquadrupolar transition, a realization of Ising nematicity, can be tuned to a quantum critical point by using a magnetic field oriented along the c axis of the tetragonal crystal lattice, which acts as an effective transverse field for the Ising-nematic order. In small magnetic fields, the thermal phase transition can be well described by using a semiclassical mean-field treatment of the transverse-field Ising model. However, in higher magnetic fields, closer to the field-tuned quantum phase transition, subtle deviations from this semiclassical behavior are observed, which are consistent with expectations of quantum fluctuations. Although the phase transition is driven by the local 4 f degrees of freedom, the crystal lattice still plays a crucial role, both in terms of mediating the interactions between the local quadrupoles and in determining the critical scaling exponents, even though the phase transition itself can be described via mean field. In particular, bilinear coupling of the nematic order parameter to acoustic phonons changes the spatial and temporal fluctuations of the former in a fundamental way, resulting in different critical behavior of the nematic transverse-field Ising model, as compared to the usual case of the magnetic transverse-field Ising model. Our results establish TmVO 4 as a model material and electronic nematicity as a paradigmatic example for quantum criticality in insulators.

36 MATERIALS SCIENCE↗

Detectability of QCD phase transitions in binary neutron star mergers: Bayesian inference with the next generation gravitational wave detectors

We study the detectability of postmerger QCD phase transitions in neutron star binaries with next-generation gravitational-wave detectors Cosmic Explorer and Einstein Telescope. We perform numerical relativity simulations of neutron star mergers with equations of state that include a quark deconfinement phase transition through either a Gibbs or Maxwell construction. These are followed by Bayesian parameter estimation of the associated gravitational-wave signals using the nrpmw waveform model, with priors inferred from the analysis of the inspiral signal. We assess the ability of the model to measure the postmerger peak frequency $f$$^{peak}_{2}$ and identify aspects that should be improved in the model. We show that, even at postmerger signal to noise ratios as low as 10, the model can distinguish (at the 90% level) $f$$^{peak}_{2}$ between binaries with and without a phase transition in most cases. Phase-transition induced deviations in the $f$$^{peak}_{2}$ from the predictions of equation-of-state insensitive relations can also be detected if they exceed 1.6⁢σ. Our results suggest that next-generation gravitational wave detectors can measure phase transition effects in binary neutron star mergers. Furthermore, unless the phase transition is “strong,” disentangling it from other hadronic physics uncertainties will require significant theory improvements.

79 ASTRONOMY AND ASTROPHYSICS↗

Mixing-Controlled Combustion of Ethanol Enabled by Prechamber Ignition (PC-MCC): A Preliminary Experimental Demonstration

This experimental study presents preliminary investigations of prechamber-enabled mixing-controlled combustion (PC-MCC) at −2 bar brake mean effective pressure (BMEP) and 2200 rpm with fuel-grade ethanol (E98). Experimental results are conducted on a prechamber retrofitted single-cylinder Caterpillar C9.3B test engine. First, a series of prechamber-only experiments were conducted with a motored engine to evaluate the salient combustion trends in response to relevant prechamber operating parameters. Under firing conditions, the prechamber operating strategy was assessed with respect to the impact on ignition assistance of direct-injected E98 and overall engine performance. The preliminary results indicate the jet-induced ignition process is robust and prompts diffusion combustion of E98 at diesel-like boundary conditions. Here, the effect of external exhaust gas recirculation (EGR) on the residual tolerance of the prechamber combustion process was also investigated and showed stable combustion in both the main chamber and prechamber up to 30% EGR. Experiments were also conducted with the stock diesel engine for baseline comparison. At matched combustion phasing, mixing-controlled combustion of ethanol enabled by prechamber ignition was able to achieve heightened gross thermal efficiency while simultaneously reducing NOx and practically eliminating smoke emissions relative to diesel combustion. In addition, the covariance of load and standard deviation of combustion phasing was diesel-like and less than 2% and 1 CAD, respectively.

PC-MCC↗

DER Inverter Control Fault Ride Through Model in Accordance with IEEE 1547-2018 Std

Distributed Energy Resources (DER) with smart inverters are becoming more prevalent as the need for renewable energy and grid stability increases. An important challenge arises when considering that inverterbased generation methods contribute less current during faults, rendering traditional overcurrent protection unsatisfactory. DERs have fault ride-through requirements when operating in high or low voltage, outlined by IEEE Std. 1547-2018. Faults cause the voltage to reach abnormal steady state magnitudes, depending on the fault resistance and fault type. There are several high voltage and low voltage ride-through zones defined by IEEE Std. 1547-2018. Each zone’s ride through duration decreases as the applicable voltage measurement, i.e., the phase RMS voltage, deviates from its nominal value. This presentation demonstrates the implementation of IEEE Std. 1547-2018 high and low voltage ridethrough grid support functions using a preexisting RSCAD model, discussing the challenges presented during this process. The implemented controls monitor the filtered phase voltages to have a more accurate reading of the applicable voltages. The controls sense the duration that the applicable voltage remains in a specific zone. The breaker trips and ceases energization to the grid when the duration is exceeded. The standard allows the operator to adjust the ride-through times and voltage zones from the default settings. These ranges are implemented into the runtime, which acts as the operator’s SCADA. The results show the accuracy of the voltage measurements, which remain within the IEEE Std. 1547-2018 for all cases.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Expanding the homogeneity range of UFe 2 : Formation of Laves phase UFe 2 +Ni

Uranium-based intermetallic Laves phases (UM 2 ) provide valuable insight into the interplay of 5f orbital hybridization and magnetic properties. However, ferromagnetism in these compounds is rare. UFe 2 is a cubic C15 Laves phase with greatest Curie temperature (T C ) of all such compounds, at 162 K. In this study, we report the synthesis and characterization of a novel U-based Laves phase, UFe 2 +Ni, effectively forcing excess Ni in to the UFe 2 structure. UFe 2 +Ni crystallizes in the cubic C15 Laves phase, appearing to deviate from the typical UM 2 formula and exhibiting a significantly extended homogeneity range. Annealing this material leads to an increased ferromagnetic transition temperature, between 35 and 155 K, and decreased lattice parameter with higher annealing temperatures. This variation is attributed to changes in Fe and Ni solubility with annealing temperature. In conclusion, our findings highlight the potential for tuning magnetic properties in U-based Laves phases through compositional and thermal modifications, expanding the understanding of magnetically ordered intermetallics.

Annealing effects↗

Impact of bulk-edge coupling on observation of anyonic braiding statistics in quantum Hall interferometers

Abstract Quantum Hall interferometers have been used to probe fractional charge and statistics of quasiparticles. We present measurements of a small Fabry–Perot interferometer in which the electrostatic coupling constants which affect interferometer behavior can be determined experimentally. Near the center of the ν = 1/3 state this device exhibits Aharonov–Bohm interference interrupted by a few discrete phase jumps, and Φ 0 oscillations at higher and lower magnetic fields, consistent with theoretical predictions for detection of anyonic statistics. We estimate the electrostatic parameters K I and K I L by two methods: using the ratio of oscillation periods in compressible versus incompressible regions, and from finite-bias conductance measurements. We find that the extracted K I and K I L can account for the deviation of the phase jumps from the theoretical anyonic phase θ a = 2 π /3. At integer states, we find that K I and K I L can account for the Aharonov–Bohm and Coulomb-dominated behavior of different edge states.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Alignment Method for Synchronized Phase Angle Measurement With Presence of Practical Time Shift

Synchronized Phase Angle Measurements (SPAMs) are widely used in power systems in the applications of situational awareness. However, the practical time shifts can lead to unexpected angle differences among Phasor Measurement Units (PMUs) manufactured from various vendors. Moreover, since most of PMUs calculate phase angle via Discrete Fourier Transform based approaches, this issue becomes even worse under the off-nominal frequency condition. To mitigate the impact of practical timing shift, this letter presents a fast method to rectify the SPAM for appropriate alignment. To verify the performance of the proposed method, laboratory and field tests have been conducted by implementing the method in PMUs and phasor data concentrators, respectively. The results demonstrate that the standard deviations of the phase angle differences have significantly decreased to 0.1$^{\circ }$ order with the adoption of the proposed method.

42 ENGINEERING↗