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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 1,297 records · Page 72

Combining Machine Learning and Numerical Simulation for High-Resolution PM2.5 Concentration Forecast

Forecasting ambient PM2.5 concentrations with spatiotemporal coverage is key to alerting decision-makers of pollution episodes and preventing detrimental public exposure, especially in regions with limited ground air monitoring stations. The existing methods either rely on chemical transport models (CTMs) to forecast spatial distribution of PM2.5 with nontrivial uncertainty or statistical algorithms to forecast PM2.5 concentration time-series at air monitoring locations without continuous spatial coverage. In this study, we developed a PM2.5 forecast framework by combining the robust Random Forest algorithm with a publicly accessible global CTM forecast product – NASA’s Goddard Earth Observing System “Composition Forecasting” (GEOS-CF), providing spatiotemporally continuous PM2.5 concentration forecasts for the next five days at a 1-km spatial resolution. Our forecast experiment was conducted for a region in Central China including the populous and polluted Fenwei Plain. The forecast for the next two days had overall validation R2 of 0.76 and 0.64, respectively; the R2 was around 0.5 for the following three forecast days. Spatial cross-validation showed similar validation metrics. Our forecast model, with validation normalized mean bias close to zero, substantially reduced the large biases in GEOS-CF. The proposed framework requires minimal computational resources compared to running CTMs at urban scales, enabling near-real-time PM2.5 forecast in resource-restricted environments.

PM2.5↗

Experimental 3D coherent diffractive imaging from photon-sparse random projections

The routine atomic resolution structure determination of single particles is expected to have profound implications for probing structure–function relationships in systems ranging from energy-storage materials to biological molecules. Extremely bright ultrashort-pulse X-ray sources – X-ray free-electron lasers (XFELs) – provide X-rays that can be used to probe ensembles of nearly identical nanoscale particles. When combined with coherent diffractive imaging, these objects can be imaged; however, as the resolution of the images approaches the atomic scale, the measured data are increasingly difficult to obtain and, during an X-ray pulse, the number of photons incident on the 2D detector is much smaller than the number of pixels. This latter concern, the signal `sparsity', materially impedes the application of the method. An experimental analog using a conventional X-ray source is demonstrated and yields signal levels comparable with those expected from single biomolecules illuminated by focused XFEL pulses. The analog experiment provides an invaluable cross check on the fidelity of the reconstructed data that is not available during XFEL experiments. Using these experimental data, it is established that a sparsity of order 1.3 × 10 −3 photons per pixel per frame can be overcome, lending vital insight to the solution of the atomic resolution XFEL single-particle imaging problem by experimentally demonstrating 3D coherent diffractive imaging from photon-sparse random projections.

59 BASIC BIOLOGICAL SCIENCES↗

Finite Element Based Full-Life Cyclic Stress Analysis of 316 Grade Nuclear Reactor Stainless Steel Under Constant, Variable, and Random Fatigue Loading

Although S~N curve-based approaches are widely followed for fatigue evaluation of nuclear reactor components and other safety critical structural systems, there is a chance of large uncertainty in estimated fatigue lives. This uncertainty may be reduced by using a more mechanistic approach such as physics based three-dimensional (3D) finite element (FE) methods. In a recent paper (Barua et al., 2018, ASME J. Pressure Vessel Technol., 140(1), p. 011403), a fully mechanistic fatigue modeling approach which is based on time-dependent stress–strain evolution of material over the entire fatigue life was presented. Based on this approach, FE-based cyclic stress analysis was performed on 316 nuclear grade reactor stainless steel (SS) fatigue specimens, subjected to constant, variable, and random amplitude loading, for their entire fatigue lives. The simulated results are found to be in good agreement with experimental observation. An elastic-plastic analysis of a pressurized water reactor (PWR) surge line (SL) pipe under idealistic fatigue loading condition was performed and compared with experimental results.

36 MATERIALS SCIENCE↗

Accelerating multicanonical sampling with irreversibility

Flat-histogram Monte Carlo simulations are well-established, robust methods to perform random walks in a physical observable or parameter space, making them suitable for finding ground states or studying phase transitions in complex systems in statistical physics. However, their efficiency can be limited by the time to attain the desired flat distribution, which is generally unknown prior to the simulations. In particular, they might suffer from slowing down towards the end of a simulation due to the diffusive nature of random walks. In this work we apply irreversibility to the multicanonical Monte Carlo method via the lifting approach to alleviate this behavior. We achieve a 2–4 times speedup in ground-state search for a two-dimensional (2D) Ising model, and up to an order of magnitude of speedup for finding the ground-state energy in an Edwards–Anderson spin glass, compared to traditional multicanonical sampling. In conclusion, the round-trip times between ground states show a narrower distribution and are significantly shorter compared to the reversible counterpart, suggesting that a lower convergence time with a smaller time variance is feasible.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Composition Dependence of the Flory–Huggins Interaction Parameters of Block Copolymer Electrolytes and the Isotaksis Point

The thermodynamics of block copolymer/salt mixtures were quantified through the application of Leibler’s random phase approximation to disordered small-angle X-ray scattering profiles. The experimental system is comprised of polystyrene-block-poly(ethylene oxide) (SEO) mixed with lithium bis(trifluoromethanesulfonyl)imide salt (LiTFSI), SEO/LiTFSI. The Flory–Huggins interaction parameter determined from scattering experiments, χ SC , was found to be a function of block copolymer composition, chain length, and temperature for both salt-free and salty systems. In the absence of salt, χ 0,SC is a linear function of (N$f_{EO}$) -1 ; in the presence of salt, a linear approximation is used to describe the effect of salt on χ eff,SC for a given copolymer composition and chain length. The theory of Sanchez was used to determine χ eff from χ eff,SC to predict the boundary between order and disorder as a function of chain length, block copolymer composition, salt concentration, and temperature. At fixed temperature (100 °C), N crit , the chain length of SEO at the order–disorder transition in SEO/LiTFSI mixtures, was predicted as a function of the volume fraction of the salt-containing poly(ethylene oxide)-rich microphase, $f_{EO,salt,}$ and salt concentration. At $f_{EO,salt,}$ > 0.27, the addition of salt stabilizes the ordered phase; at $f_{EO,salt,}$ < 0.27, the addition of salt stabilizes the disordered phase. We propose a simple theoretical model to predict the block copolymer composition at which phase behavior is independent of salt concentration ($f_{EO,salt,}$ = 0.27). Here, we refer to this composition as the “isotaksis point”.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Error-mitigated nonorthogonal quantum eigensolver via shadow tomography

We present a shadow-tomography-enhanced nonorthogonal quantum eigensolver (NOQE) for more efficient and accurate electronic structure calculations on near-term quantum devices. By integrating shadow tomography into the NOQE, the measurement cost scales linearly rather than quadratically with the number of reference states, while also reducing the required qubits and circuit depth by half. This approach enables extraction of all matrix elements via randomized measurements and classical postprocessing. We analyze its sample complexity and show that, for small systems, it remains constant in the high-precision regime, while for larger systems, it scales linearly with the system size. We further apply shadow-based error mitigation to suppress noise-induced bias without increasing quantum resources. Demonstrations on the hydrogen molecule in the strongly correlated regime achieve chemical accuracy under realistic noise, showing that our method is both resource-efficient and noise-resilient for practical quantum chemistry simulations in the near term.

quantum algorithms & computation↗

Numerical study of the temperature dependence of the NMR relaxation rate across the superfluid–Bose glass transition in one dimension

Here, we study the nuclear magnetic resonance (NMR) spin-lattice relaxation rate 1/ T 1 1 in random one-dimensional spin chains as a function of the temperature and disorder strength. In the zero temperature limit, the system displays a disorder-induced quantum phase transition between a critical Tomonaga-Luttinger liquid (TLL) phase and a localized Bose glass phase. The 1/ T 1 is investigated across this transition using large-scale simulations based on matrix product state techniques. We find that this quantity can detect the transition and probe the value of the dimensionless TLL parameter K . We also compute the NMR relaxation rate distributions for each temperature and disorder strength considered. In particular, we discuss the applicability of the stretched exponential fit to the return-to-equilibrium function to extract the 1/ T 1 experimentally. The results presented here should provide valuable insights in regards of future NMR experiments in realistic disordered spin compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Two-dimensional ordering and collective magnetic excitations in the dilute ferromagnetic topological insulator ( Bi 0.95 Mn 0.05 ) 2 Te 3

Employing elastic and inelastic neutron scattering (INS) techniques, we introduce the microscopic properties of the ferromagnetism in the dilute magnetic topological insulator ( Bi 0.95 Mn 0.05 ) 2 Te 3 . Neutron diffraction of polycrystalline samples shows the ferromagnetic (FM) ordering is long range within the basal plane, and mainly two dimensional (2D) in character with short-range correlations between layers below T C ≈ 13 K. Remarkably, we observe gapped and collective magnetic excitations in this dilute magnetic system. The excitations appear typical of quasi-2D FM systems despite the severe broadening of short-wavelength magnons which is expected from the random spatial distribution of Mn atoms in the Bi planes. A detailed investigation of the INS provides the average values for exchange couplings which are consistent with reports of carrier-mediated interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Microscopic predictions for the production of neutron-rich nuclei in the reaction Yb 176 + Yb 176

Background: Production of neutron-rich nuclei is of vital importance to both understanding nuclear structure far from stability and to informing astrophysical models of the rapid neutron capture process (r-process). Multinucleon transfer (MNT) in heavy-ion collisions offers a possibility to produce neutron-rich nuclei far from stability. Purpose: The 176 Yb + 176 Yb reaction has been suggested as a potential candidate to explore the neutron-rich region surrounding the principal fragments. The current study has been conducted with the goal of providing guidance for future experiments wishing to study this (or similar) system. Methods: Time-dependent Hartree-Fock (TDHF) and its time-dependent random-phase approximation (TDRPA) extension are used to examine both scattering and MNT characteristics in 176 Yb + 176 Yb. TDRPA calculations are performed to compute fluctuations and correlations of the neutron and proton numbers, allowing for estimates of primary fragment production probabilities. Results: Both scattering results from TDHF and transfer results from the TDRPA are presented for different energies, orvientations, and impact parameters. In addition to fragment composition, scattering angles and total kinetic energies, as well as correlations between these observables are presented. Conclusions: 176 Yb + 176 Yb appears to be an interesting probe for the midmass neutron-rich region of the chart of nuclides. Lastly, the predictions of both TDHF and TDRPA are speculative, and will benefit from future experimental results to test the validity of this approach to studying MNT in heavy, symmetric collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Seamless High-Q Microwave Cavities for Multimode Circuit Quantum Electrodynamics

Multimode cavity quantum electrodynamics ---where a two-level system interacts simultaneously with many cavity modes---provides a versatile framework for quantum information processing and quantum optics. Due to the combination of long coherence times and large interaction strengths, one of the leading experimental platforms for cavity QED involves coupling a superconducting circuit to a 3D microwave cavity. In this work, we realize a 3D multimode circuit QED system with single photon lifetimes of $2$ ms and cooperativities of $0.5-1.5\times10^9$ across 9 modes of a novel seamless cavity. We demonstrate a variety of protocols for universal single-mode quantum control applicable across all cavity modes, using only a single drive line. We achieve this by developing a straightforward flute method for creating monolithic superconducting microwave cavities that reduces loss while simultaneously allowing control of the mode spectrum and mode-qubit interaction. We highlight the flexibility and ease of implementation of this technique by using it to fabricate a variety of 3D cavity geometries, providing a template for engineering multimode quantum systems with exceptionally low dissipation. This work is an important step towards realizing hardware efficient random access quantum memories and processors, and for exploring quantum many-body physics with photons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Magnetic correlations and pairing tendencies of the hybrid stacking nickelate superlattice La 7 Ni 5 O 17 (La 3 ⁢Ni 2 ⁢O 7 /La 4 Ni 3 ⁢O 10 ) under pressure

Motivated by the recent rapid progress in high-𝑇 𝑐 nickelate superconductors, we comprehensively study the physical properties of the alternating bilayer trilayer stacking nickelate La 7 ⁢Ni 5 ⁢O 17 . The high-symmetry phase of this material, without the tilting of oxygen octahedra, is not stable at ambient conditions but becomes stable under high pressure, where a small hole pocket 𝛾 0 , composed of the 𝑑 3⁢𝑧 2 −𝑟 2 states in the trilayer sublattice, appears. Here, this pocket was identified in our previous work for trilayer La 4 ⁢Ni 3 ⁢O 10 as important to develop superconductivity. Moreover, using random-phase approximation calculations, we find a leading 𝑠 ± pairing state for the high-symmetry phase under pressure with similar pairing strength as that obtained previously for the bilayer La 3⁢ Ni 2 ⁢O 7 compound, suggesting a similar or higher superconducting transition temperature 𝑇 𝑐 , at the random-phase approximation level. In addition, we find that the dominant magnetic fluctuations in the system driving this pairing state have antiferromagnetic structure both in-plane and between the planes of the top and bottom trilayer and bilayer sublattices, while the middle trilayer is magnetically decoupled.

Zhang, Yang [Univ. of Tennessee, Knoxville, TN (Un↗

The Impurity Magnetic Susceptibility of Semiconductors in the Case of Direct Exchange Interaction in the Ising Model

The numerical simulation was applied to study the temperature dependence of the impurity magnetic susceptibility. The direct exchange interaction of the impurity magnetic moments randomly distributed in space was considered within the Ising model. When the temperature in a system decreases, the magnetic susceptibility behavior in this system ceases to comply with the Curie law, which is associated with the formation of a spin glass phase. It is shown that the expression of the preexponential factor in the formula for the direct exchange interaction considerably influences the temperature dependence of the magnetic susceptibility only in the case of ferromagnetic exchange.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

GANISP (GAN-assisted Importance SPlitting)

Genealogical importance splitting marches towards a rare event by iteratively selecting and replicating realizations that are headed towards a rare event. The replication step is made difficult when applied to deterministic systems as the initial conditions of the offspring realizations need to be adjusted. Typically, a random perturbation is applied to the offspring. For some cases, this cloning technique may not be adequate and prevent variance reduction in the probability estimate. A GAN-based replication process is proposed to address this limitation. The perturbations applied to the clones are physically consistent instead of being randomly chosen. The proposed method allows reducing the variance in the probability estimation.

Hassanaly, Malik↗

2015 Madison County, Indiana, In the Moment Travel Study

The 2015 In the Moment Travel Study—a pilot study—captured the travel behavior and characteristics of residents in Madison County, Indiana. The Madison County Council of Governments sponsored the study, which was administered by Resource Systems Group and conducted from February to March 2015. It used an activity sampling or "random moments" sampling approach via a smartphone application to capture travel behavior and characteristics from the survey participants. This approach included brief smartphone interactions, e.g., a few minutes per interaction, conducted multiple times a day over multiple days, which was considered less burdensome than traditional household travel diary surveys, which often require 20-30 minutes in one sitting. This proof-of-concept study included households that also participated in the 2014 Heartland in Motion household travel diary survey. Because of this, an assessment of the accuracy and completeness of the collected smartphone application data and comparisons between the "random moments" sample method and traditional household travel surveys can conceivably be drawn.

1Hz data↗

Mu2e resonant extraction regulation system simulation in delivery ring

Mu2e is an upcoming experiment at Fermilab that relies on the slowly extracted 8 GeV proton beam from the Delivery Ring. The experiment imposes strong requirements on the spill uniformity. To address these requirements, the fast spill regulations system is being developed and commissioned. To inform this development and optimize the system performance we are carrying out the detailed simulations of the regulation process. The simulation includes the effect of six harmonic sextupoles that excite the third-integer resonance and three fast ramping quadrupoles that drive the horizontal tune to 29/3. The components of spill regulation system are designed to mitigate long-term drifts in the beam, ensuring stable operation over extended timescales, as well as addresses rapid variations within single spill. In this study, we review the regulation system design, simulation of the slow regulation, and the fast regulation PID regulation to curtail random variations in the extraction rate that could occur within a single spill.

Narayanan, Aakaash [Fermilab]↗

Loop current fluctuations and quantum critical transport

We study electrical transport at quantum critical points (QCPs) associated with loop current ordering in a metal, focusing specifically on models of the “Hertz-Millis” type. At the infrared (IR) fixed point and in the absence of disorder, the simplest such models have infinite DC conductivity and zero incoherent conductivity at nonzero frequencies. However, we find that a particular deformation, involving N N species of bosons and fermions with random couplings in flavor space, admits a finite incoherent, frequency-dependent conductivity at the IR fixed point, \sigma(\omega>0)\sim\omega^{-2/z} σ ( ω > 0 ) ∼ ω − 2 / z , where z z is the boson dynamical exponent. Leveraging the non-perturbative structure of quantum anomalies, we develop a powerful calculational method for transport. The resulting "anomaly-assisted large N N expansion" allows us to extract the conductivity systematically. Although our results imply that such random-flavor models are problematic as a description of the physical N = 1 N = 1 system, they serve to illustrate some general conditions for quantum critical transport as well as the anomaly-assisted calculational methods. In addition, we revisit an old result that irrelevant operators generate a frequency-dependent conductivity, \sigma(\omega>0) \sim \omega^{-2(z-2)/z} σ ( ω > 0 ) ∼ ω − 2 ( z − 2 ) / z , in problems of this kind. We show explicitly, within the scope of the original calculation, that this result does not hold for any order parameter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The NSLS-II Components Relative Alignment Deviation Estimate

The alignment of NSLS-II components will be conducted under the constraint of survey control network. The control network system is categorized as outside, primary and secondary control networks, and all of them have random errors due to measurement random errors. In the error propagation point of view, they all will contribute to the final positioning accuracy of each component in global sense. However, as the global positioning requirement is relative loose (i.e. ± 3mm for storage ring), relative positioning accuracy is what we really concern. In this situation, only secondary control network will contribute as only secondary monuments will be employed to direct the adjustment of components. Other error sources include instrument setup error, adjustment residuals and slab movement etc. This article will analyze the maximum relative deviation of 3 positions in one cell’s region, which is a simulation of 1 ID and 2 Vacuum chamber positions.

43 PARTICLE ACCELERATORS↗

Classical linear-control analysis applied to business-cycle dynamics and stability

Linear control analysis is applied as an aid in understanding the fluctuations of business cycles in the past, and to examine monetary policies that might improve stabilization. The analysis shows how different policies change the frequency and damping of the economic system dynamics, and how they modify the amplitude of the fluctuations that are caused by random disturbances. Examples are used to show how policy feedbacks and policy lags can be incorporated, and how different monetary strategies for stabilization can be analytically compared. Representative numerical results are used to illustrate the main points.

Wingrove, R. C.↗