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DOE OSTI2022

Solving nuclear structure problems with the adaptive variational quantum algorithm

Here we use the Lipkin-Meshkov-Glick (LMG) model and the valence-space nuclear shell model to examine the likely performance of variational quantum eigensolvers in nuclear-structure theory. The LMG model exhibits both a phase transition and spontaneous symmetry breaking at the mean-field level in one of the phases, features that characterize collective dynamics in medium-mass and heavy nuclei. We show that with appropriate modifications, the ADAPT-VQE algorithm, a particularly flexible and accurate variational approach, is not troubled by these complications. We treat up to 12 particles and show that the number of quantum operations needed to approach the ground-state energy scales linearly with the number of qubits. We find similar scaling when the algorithm is applied to the nuclear shell model with realistic interactions in the sd and pf shells. Although most of these simulations contain no noise, we use a noise model from real IBM hardware to show that for the LMG model with four particles, weak noise has no effect on the efficiency of the algorithm.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1996

Simplified Phased-Mission System Analysis for Systems with Independent Component Repairs

Accurate analysis of reliability of system requires that it accounts for all major variations in system's operation. Most reliability analyses assume that the system configuration, success criteria, and component behavior remain the same. However, multiple phases are natural. We present a new computationally efficient technique for analysis of phased-mission systems where the operational states of a system can be described by combinations of components states (such as fault trees or assertions). Moreover, individual components may be repaired, if failed, as part of system operation but repairs are independent of the system state. For repairable systems Markov analysis techniques are used but they suffer from state space explosion. That limits the size of system that can be analyzed and it is expensive in computation. We avoid the state space explosion. The phase algebra is used to account for the effects of variable configurations, repairs, and success criteria from phase to phase. Our technique yields exact (as opposed to approximate) results. We demonstrate our technique by means of several examples and present numerical results to show the effects of phases and repairs on the system reliability/availability.

Somani, Arun K.↗

NASA NTRS2009

Characteristics of Whipple Shield Performance in the Shatter Regime

Between the onset of projectile fragmentation and the assumption of rear wall failure due to an impulsive load, multi-wall ballistic limit equations are linearly interpolated to provide reasonable yet conservative predictions of perforation thresholds with conveniently simple mathematics. Although low velocity and hypervelocity regime predictions are based on analytical expressions, there is no such scientific foundation for predictions in the intermediate (or shatter) regime. As the debris flux in low earth orbit (LEO) becomes increasingly dominated by manmade pollution, the profile of micrometeoroid and orbital debris (MMOD) risk shifts continually towards lower velocities. For the International Space Station (ISS), encounter velocities below 7 km/s now constitute approximately 50% of the penetration risk. Considering that the transition velocity from shatter to hypervelocity impact regimes described by common ballistic limit equations (e.g. new non-optimum Whipple shield equation [1]) occurs at 7 km/s, 50% of station risk is now calculated based on failure limit equations with little analytical foundation. To investigate projectile and shield behavior for impact conditions leading to projectile fragmentation and melt, a series of hypervelocity impact tests have been performed on aluminum Whipple shields. In the experiments projectile diameter, bumper thickness, and shield spacing were kept constant, while rear wall thickness was adjusted to determine spallation and perforation limits at various impact velocities and angles. The results, shown in Figure 1 for normal and 45 impacts, demonstrated behavior that was not sufficiently described by the simplified linear interpolation of the NNO equation (also shown in Figure 1). Hopkins et al. [2] investigated the performance of a nominally-identical aluminum Whipple shield, identifying the effects of phase change in the shatter regime. The results (conceptually represented in Figure 2) were found to agree well with those obtained in this study at normal incidence, suggesting that shielding performance in the shatter regime could be well described by considering more complex phase conditions than currently implemented in most BLEs. Furthermore, evidence of these phase effects were found in the oblique test results, providing the basis for an empirical description of these effects that can be applied in MMOD risk assessment software. In this paper, results of the impact experiments are presented, and characteristics of target damage are evaluated. A comparison of intermediate velocity impact failure mechanisms in current BLEs are discussed and compared to the findings of the experimental study. Risk assessment calculations have been made on a simplified structure using currently implemented penetration equations and predicted limits from the experimental program, and the variation in perceived mission risk is discussed. It was found that ballistic limit curves that explicitly incorporated phase change effects within the intermediate regime lead to a decrease in predicted MMOD risk for ISS-representative orbits. When considered for all Whipple-based shielding configurations onboard the ISS, intermediate phase change effects could lead to significant variations in predicted mission risk.

Ryan, Shannon↗

DOE OSTI2022

Role of α → ε → α phase transformation on the spall behavior of iron at atomic scales

Shock compression of iron microstructures above a threshold stress results in a α (BCC) → ε (HCP) transformation and the propagation of the release wave brings the metal back to the α phase following the ε→α transformation. Predicting failure behavior under shock loading conditions (spallation) relies on understanding the evolution of defects in the microstructure as it undergoes the α→ε→α phase transformation. This study uses molecular dynamics (MD) simulations to investigate the role of defect evolution during α→ε→α phase transformation on the spall strength values of single-crystal (sc) Fe microstructures. The MD simulations aim to characterize the ε phase fraction formed during shock compression and the defects during shock release for variations in loading orientations and shock stresses. The simulations are carried out for loading along the [100], [110], [111], and [112] orientations and for impact velocities ranging from 600 m/s to 1 km/s. The ε phase fractions during compression and defects (dislocations, twins) characterized during spall failure show an orientation dependence that affects the spall strength values. Here, the lowest value for spall strength is observed for the <110> loading orientation that shows a high density of twinning at the spall plane, whereas the highest value is observed for the <100> orientation and is associated with a α (BCC) → γ (FCC) transformation at the spall plane. The correlations of the spall strength values with the strain rates and with the ε phase fractions are discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Multispectral Quantitative Phase Imaging Using a Diffractive Optical Network

As a label‐free imaging technique, quantitative phase imaging (QPI) provides optical path length information of transparent specimens for various applications in biology, materials science, and engineering. Multispectral QPI measures quantitative phase information across multiple spectral bands, permitting the examination of wavelength‐specific phase and dispersion characteristics of samples. Herein, the design of a diffractive processor is presented that can all‐optically perform multispectral quantitative phase imaging of transparent phase‐only objects within a snapshot. The design utilizes spatially engineered diffractive layers, optimized through deep learning, to encode the phase profile of the input object at a predetermined set of wavelengths into spatial intensity variations at the output plane, allowing multispectral QPI using a monochrome focal plane array. Through numerical simulations, diffractive multispectral processors are demonstrated to simultaneously perform quantitative phase imaging at 9 and 16 target spectral bands in the visible spectrum. The generalization of these diffractive processor designs is validated through numerical tests on unseen objects, including thin Pap smear images. Due to its all‐optical processing capability using passive dielectric diffractive materials, this diffractive multispectral QPI processor offers a compact and power‐efficient solution for high‐throughput quantitative phase microscopy and spectroscopy.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Variational study of the Kitaev-Heisenberg-Gamma model

Here we compute the low-energy excitation spectrum and the dynamical spin structure factor of the Kitaev-Heisenberg-Gamma model through a variational approach based on the exact fractionalized excitations of the pure Kitaev honeycomb model. This novel approach reveals the physical reason for the asymmetric stability of the Kitaev spin liquid phases around the ferromagnetic and antiferromagnetic Kitaev limits. Moreover, we demonstrate that the fractionalized excitations form bound states in specific regions of each Kitaev spin liquid phase and that certain phase transitions induced by Heisenberg and Gamma interactions are driven by the condensation of such a bound state. Remarkably, this bound state appears as a sharp mode in the dynamical spin structure factor, while its condensation patterns at the appropriate phase transitions provide a simple explanation for the magnetically ordered phases surrounding each Kitaev spin liquid phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2001

Space-Time Characteristics of Rainfall Diurnal Variations

The space-time features of rainfall diurnal variation of precipitation are systematically investigated by using the Tropical Rainfall Measuring Mission (TRMM) precipitation products retrieved from TRMM microwave imager (TMI), precipitation radar (PR) and TMI/PR combined algorithms. Results demonstrate that diurnal variability of precipitation is obvious over tropical regions. The dominant feature of rainfall diurnal cycle over, ocean is that there is consistent rainfall peak in early morning, while there is a consistent rainfall peak in mid-late afternoon over land. The seasonal variation on intensity of rainfall diurnal cycle is clearly evidenced. Horizontal distributions of rainfall diurnal variations indicate that there is a clearly early-morning peak with a secondary peak in the middle-late afternoon in ocean rainfall at latitudes dominated by large-scale convergence and deep convection. There is also an analogous early-morning peak in land rainfall along with a stronger afternoon peak forced by surface heating. Amplitude analysis shows that the patterns and its evolution of rainfall diurnal cycle are very close to rainfall distribution pattern and its evolution. These results indicate that rainfall diurnal variations are strongly associated with large-scale convective systems and climate weather systems. Phase studies clearly present the regional and seasonal features of rainfall diurnal activities. Further studies on convective and stratiform rainfall show different characteristics of diurnal cycles. Their spatial and temporal variations of convective and stratiform rainfall indicate that mechanisms for rainfall diurnal variations vary with time and space.

Yang, Song↗

NASA NTRS2014

Acoustic Measurements from Wind Tunnel Test of AMELIA - Advanced Model for Extreme Lift and Improved Aeroacoustics

A wind tunnel test has been conducted to measure the aerodynamic and acoustic performance of an active circulation-control aircraft with leading- and trailing- edge slot blowing. The 11 Advanced Model for Extreme Lift and Improved Aeroacoustics (AMELIA) model was tested in the Arnold Engineering Development Center (AEDC) National Full Scale Aerodynamics Complex (NFAC) 40- by 80-Ft wind tunnel. Forward velocities ranged from 0 to Mach 0.15 and total slot mass-flow was varied from 0 to 2.8 lbmsec. Angle-of-attack and sideslip ranges were -5 to 25 and -10 to 10, respectively.This reports summarizes acoustic measurements from the wind tunnel test and the corrections applied to the released acoustic data. The analysis focuses on measurements for the clean wing configuration (turbine propulsion simulators removed) with trailing-and leading-edge slot blowing and with trailing-edge blowing, for systematic variations in slot mass flow from nearly zero to the system maximum. The acoustic measurements from a fixed phased microphone array and seven fixed microphones were corrected for sensor directional response and atmospheric attenuation. Graphs of 13-octave spectra, narrowband spectra, and directional variations in OASPL are presented for each active lift configuration. This report is intended to document the corresponding set of corrected data that is now available for development and verification of new predictive models of the active lift source.For large slot mass flow conditions 13-octave spectral shapes were level and flat, typical of a pink noise source. Little source directivity was present in the OASPL levels for the 0 flap conditions and show only a slight downstream increase with the 60 flap configuration. For moderate to high slot mass flow conditions trailing-edge only blowing spectra were similar to leading- and trailing edge blowing cases. However for the lower mass flows variations of as much as 5 dB were observed.

CCW↗

DOE OSTI2025

Extracted Water Induces Concentration Fluctuations in Model Ternary Liquid–Liquid Extraction System

Organic phase aggregation and phase splitting are two important (and connected) phenomena in liquid–liquid extraction of metal ions. Previously, we demonstrated how structure in binary mixtures of extractant and diluent originates from concentration fluctuations associated with the so-called “third-phase formation” liquid–liquid phase instability. For more complex systems, we sought to understand how extracted aqueous components affect these concentration fluctuations. Here, in this study, we use small-angle X-ray scattering and molecular dynamics simulations to investigate organic phase structural changes upon contact with water in a model ternary system of water/alkane/extractant. Critical exponents were determined from scattering with temperature variation and were consistent with mean field values. Then, by controlling the water content in the organic phase through direct dissolution of fixed quantities at constant temperature, we relate the observed increase in the fluctuation length scale to changes to the spinodal temperature of the third-phase formation phase boundary. We find a roughly linear relationship between water concentration and the spinodal temperature and a similar slope in that relationship for different linear alkane diluents. This suggests that the mechanism by which water extraction impacts the organic phase structure is to enhance concentration fluctuations through the introduction of additional polar extractant-water complexes, which increases the spinodal temperature and thereby decreases the reduced temperature, i.e., the distance to the instability. This explanation for how solutes induce aggregation in liquid–liquid extraction organic phases may extend to more complex systems, explaining the large increases in correlation lengths reported under high acid and metal loading.

Bonnett, Brittany L. [Argonne National Laboratory ↗

DOE OSTI2025

Fast oxygen redox enabled by flexible Al–O bonds in P2-type layered oxides for sodium batteries

Sodium-ion batteries (SIBs) exhibit significant potential for large-scale energy storage systems due to the abundance and low cost of sodium resources. Triggering lattice oxygen redox (LOR) in P2-type transition metal oxides is considered a promising approach to enhance energy density in SIB cathodes, providing high operating potential and substantial capacity. However, irreversible phase transitions associated with LOR, particularly from prisms (P-type stacking) to octahedrons (O-type stacking), lead to severe structural distortions and sluggish Na + diffusion kinetics. In this work, an Al-substitution strategy is proposed to suppress the formation of O-type stacking and instead promote the formation of a beneficial Z phase. Furthermore, the flexible Al-O bonds accommodate asymmetric variations in their occupied states during the sodiation process, mitigating local structural distortions through Al-O bond contraction. Stabilization of the local structure ensures the maintenance of a robust Na + diffusion pathway. As a result, the Al-substituted cathode achieves a low Na + diffusion barrier of 0.47 eV and delivers a capacity of 86 mAh/g even at a high current density of 1 A/g within 1.5–4.5 V, maintaining 62.5% capacity retention over 100 cycles.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Interplay of superconducting, metallic, and crystalline states of composite fermions at 𝜈 = $\frac{1}{6}$ in wide quantum wells

Evidence for developing fractional quantum Hall effect (FQHE) at filling fraction 𝜈 = 1/6 and 1/8 was recently reported in wide GaAs quantum wells [Wang et al., Phys. Rev. Lett. 134, 046502 (2025)]. In this article, we theoretically investigate the nature of the state at 𝜈 = 1/6 as a function of the quantum well width and the density by considering composite-fermion (CF) crystals, CF Fermi sea, and various kinds of paired CF states. The 𝑓-wave paired state has the lowest energy among the paired CF states. However, for parameters of interest, the energies of the CF crystal, the CF Fermi liquid, and the 𝑓-wave paired CF state are too close to distinguish. We, therefore, predict that 𝑖𝑓 the FQHE at 𝜈 = 1/6 is experimentally confirmed, this state would be an 𝑓-wave paired state of CFs, which can be verified by measurement of its thermal Hall conductance. Exact diagonalization studies on clean systems with up to eight electrons show that the ground states at 𝜈 = 𝑛/(6⁢𝑛 ± 1) are incompressible for all widths and densities we have considered, and are well described by the corresponding Laughlin and Jain states. We propose a phase diagram for large quantum well widths and densities in which at zero disorder, incompressible FQHE states are stabilized at 𝜈 = 𝑛/(6⁢𝑛 ± 1) and 𝜈 = 1/6, but in between these fillings the CF crystal is stabilized. We also present a qualitative discussion on the effects of disorder and propose a schematic phase diagram based on it. With disorder, which creates a spatial variation in the filling factor, two regimes are identified: (i) for small disorder, when the incompressible states percolate at the special fillings, FQHE with quantized Hall plateaus and vanishing longitudinal resistance should occur; and (ii) for larger disorder, when the CF crystal percolates, the longitudinal resistance rises with decreasing temperature but the domains of FQHE liquid produce minima at the special filling factors. Here, experiments are consistent with the latter scenario. We also mention a possible connection of the phase diagram presented here to a puzzling behavior observed for the fractional quantum anomalous Hall effect in pentalayer graphene.

Composite fermions↗

DOE OSTI2025

Landau theory of the density wave transition in trilayer Ruddlesden-Popper nickelates

This paper presents a Landau treatment of the incommensurate density wave transition observed in trilayer Ruddlesden-Popper nickelates and uses this to address the nature of the transition. Here, the data are consistent with a spin driven transition with the distinct intertwining of charge and spin order due to being in or proximate to the first-order transition region of the Landau phase diagram. From this approach, one also obtains an understanding of the variation of the transition temperature with rare earth size, pressure, and oxygen isotope substitution.

Charge density waves↗

NASA NTRS1994

Infrared photometry and polarimetry of Cygnus X-3

We present photometry and linear polarimetry of Cygnus X-3 at K (2.2 micrometers) obtained over a 5 yr period. Photometry and polarimetry at J, H, and K of nearby field stars is also presented. From an analysis of these data we find: (1) Using the x-ray ephemeris of Kitamoto et al. (ApJ, 384, 263 (1992), including the first and second derivatives of the period, the leading edge of the decline to minimum in the quiescent K light curve has not changed in phase since 1974. The duration of the minimum in the light curve has changed significantly between different epochs, becoming much broader in 1993 than it was previously. (2) In addition to an interstellar polarization component, it is likely Cyg X-3 has an intrinsic polarization component that is variable. The variations in the polarization do not show any diagnostic pattern with orbital phase. A crude analysis of the polarization suggests the intrinsic polarization of Cyg X-3 has a mean position angle of approximately 12 deg, nearly the same as the direction of the expanding radio lobes. This is consistent with circumstellar electrons scattering in an equatorial disk that is perpendicular to the lobe axis. (3) The mean position angle for the interstellar polarization in the direction of Cyg X-3 is 150 deg. This is nearly perpendicular to the axis of interstellar radio scattering seen in the extended (Very Long Baseline Inteferometry (VLBI) images. Since the position angle of interstellar polarization is the same as the projected magnetic field direction, this suggests the interstellar (not circumstellar) scattering must be taking place perpendicular to the interstellar magnetic field lines. (4) Cyg X-3 was observed at K during a flare on 1992 September 30 with a temporal resolution of 6 s. The flaring had rise and fall times of approximately 50 s with peak intensities up to 80 mJy. The flux between individual flare events never dropped to quiescent levels for the duration of our observations (approximately 2000 s).

Jones, Terry Jay↗

NASA NTRS1991

Neutral line chaos and phase space structure

Phase space structure and chaos near a neutral line are studied with numerical surface-of-section (SOS) techniques and analytic methods. Results are presented for a linear neutral line model with zero crosstail electric field. It was found that particle motion can be divided into three regimes dependening on the value of the conserved canonical momentum, Py, and the conserved Hamiltonian, h. The phase space structure, using Poincare SOS plots, is highly sensitive to bn = Bn/B0 variations, but not to h variations. It is verified that the slow motion preserves the action, Jz, as evaluated by Sonnerup (1971), when the period of the fast motion is smaller than the time scale of the slow motion. Results show that the phase space structure and particle chaos depend sensitively upon Py and bn, but are independent of h.

Burkhart, Grant R.↗

DOE OSTI2023

A room temperature exchange bias effect caused by the coexisting martensitic phase structures in Ni50Mn38Sb12−xGax polycrystalline Heusler alloys

The exchange bias effect is the physical cornerstone of applications, such as spin valves, ultra-high-density data storage, and magnetic tunnel junctions. This work studied the room temperature exchange bias effect by constructing a Ni50Mn38Sb12−xGax alloy system with coexisting martensitic phase structures. The study found that the exchange bias effect shows a non-monotonic change with the variation of Ga composition at 300 K, and an obvious room temperature exchange bias effect appears in the alloys with coexisting phase structures of 4O and L10, which is due to the strong exchange coupling between ferromagnetic and antiferromagnetic. Further research on the exchange bias effect and temperature shows that the blocking temperature is 420 K, and the exchange bias can stably exist in a temperature range of ∼200 K around room temperature. This work provides a method to engineer exchange bias effects at room temperature.

Physics↗

NASA NTRS1978

Effect of concentration dependence of the diffusion coefficient on homogenization kinetics in multiphase binary alloy systems

Diffusion calculations were performed to establish the conditions under which concentration dependence of the diffusion coefficient was important in single, two, and three phase binary alloy systems. Finite-difference solutions were obtained for each type of system using diffusion coefficient variations typical of those observed in real alloy systems. Solutions were also obtained using average diffusion coefficients determined by taking a logarithmic average of each diffusion coefficient variation considered. The constant diffusion coefficient solutions were used as reference in assessing diffusion coefficient variation effects. Calculations were performed for planar, cylindrical, and spherical geometries in order to compare the effect of diffusion coefficient variations with the effect of interface geometries. In most of the cases considered, the diffusion coefficient of the major-alloy phase was the key parameter that controlled the kinetics of interdiffusion.

Tenney, D. R.↗

NASA NTRS1991

Diurnal variation of marine stratocumulus over San Nicolas Island during July 1987

A study is presented of surface measurements made at San Nicolas Island during the intensive field observation marine stratocumulus phase of the First International Satellite Cloud Climatology Program Regional Experiment, July 1987, to retrieve the average diurnal variation of marine stratocumulus and associated surface variables. The diurnal behavior of the cloud base appears to be consistent with model-predicted uncoupling of the cloud layer and the subcloud layer as the turbulent flux of moisture is limited by solar heating close to the cloud base. Also, variation in surface air temperature is consistent with the limitation of the turbulent flux of heat between the two layers, screening the surface from the effect of longwave cooling from the cloud top.

Blaskovic, Miriam↗

NASA NTRS2014

An AeroCom Assessment of Black Carbon in Arctic Snow and Sea Ice

Though many global aerosols models prognose surface deposition, only a few models have been used to directly simulate the radiative effect from black carbon (BC) deposition to snow and sea ice. Here, we apply aerosol deposition fields from 25 models contributing to two phases of the Aerosol Comparisons between Observations and Models (AeroCom) project to simulate and evaluate within-snow BC concentrations and radiative effect in the Arctic. We accomplish this by driving the offline land and sea ice components of the Community Earth System Model with different deposition fields and meteorological conditions from 2004 to 2009, during which an extensive field campaign of BC measurements in Arctic snow occurred. We find that models generally underestimate BC concentrations in snow in northern Russia and Norway, while overestimating BC amounts elsewhere in the Arctic. Although simulated BC distributions in snow are poorly correlated with measurements, mean values are reasonable. The multi-model mean (range) bias in BC concentrations, sampled over the same grid cells, snow depths, and months of measurements, are −4.4 (−13.2 to +10.7) ng/g for an earlier phase of AeroCom models (phase I), and +4.1 (−13.0 to +21.4) ng/g for a more recent phase of AeroCom models (phase II), compared to the observational mean of 19.2 ng/g. Factors determining model BC concentrations in Arctic snow include Arctic BC emissions, transport of extra-Arctic aerosols, precipitation, deposition efficiency of aerosols within the Arctic, and meltwater removal of particles in snow. Sensitivity studies show that the model-measurement evaluation is only weakly affected by meltwater scavenging efficiency because most measurements were conducted in non-melting snow. The Arctic (60-90degN) atmospheric residence time for BC in phase II models ranges from 3.7 to 23.2 days, implying large inter-model variation in local BC deposition efficiency. Combined with the fact that most Arctic BC deposition originates from extra-Arctic emissions, these results suggest that aerosol removal processes are a leading source of variation in model performance. The multi-model mean (full range) of Arctic radiative effect from BC in snow is 0.15 (0.07-0.25) W/sq m and 0.18 (0.06-0.28) W/sq m in phase I and phase II models, respectively. After correcting for model biases relative to observed BC concentrations in different regions of the Arctic, we obtain a multi-model mean Arctic radiative effect of 0.17 W/sq m for the combined AeroCom ensembles. Finally, there is a high correlation between modeled BC concentrations sampled over the observational sites and the Arctic as a whole, indicating that the field campaign provided a reasonable sample of the Arctic.

carbon↗