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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Valley magnetism, nematicity, and density wave orders in twisted bilayer graphene

We analyze density wave and Pomeranchuk orders in twisted bilayer graphene. This complements our earlier analysis of the pairing instabilities. We assume that near half filling of either conduction or valence band, the Fermi level is close to Van Hove points, where the density of states diverges, and study potential instabilities in the particle-hole channel within a patch model with two valley degrees of freedom. The hexagonal symmetry of twisted bilayer graphene allows for either six or twelve Van Hove points. We consider both cases and find the same two leading candidates for particle-hole order. One is an SU(2)-breaking spin state with ferromagnetism within a valley. A subleading intervalley hopping induces antiferromagnetism between the valleys. The same state has also been obtained in strong-coupling approaches, indicating that this order is robust. Here, the other is a mixed state with 120° complex spin order and orthogonal complex charge order. In addition, we find a weaker but still attractive interaction in nematic channels, and discuss the type of a nematic order.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Decagonal Sn clathrate on d-Al-Ni-Co

Decagonal quasiperiodic ordering of Sn thin films on d-Al-Ni-Co is shown based on scanning tunneling microscopy (STM), low-energy electron diffraction, and density functional theory (DFT). Interestingly, the decagonal structural correlations are partially retained even up to a large film thickness of 10 nm grown at 165±10K. The nucleation centers called “Sn white flowers” identified by STM at submonolayer thickness are recognized as valid patches of the decagonal clathrate structure with low adsorption energies of these motifs. Due to the excellent lattice matching (to within 1%) between columns of Sn dodecahedra in the clathrate structure and pentagonal motifs at the d-Al-Ni-Co surface, the interfacial energy favors clathrate over the competing Sn crystalline forms. DFT study of the Sn/Al-Ni-Co composite model shows good mechanical stability, as shown by the work of separation of Sn from Al-Ni-Co slab that is comparable to the clathrate self-separation energy. Finally, the relaxed surface terminations of the R 2 T 4 clathrate approximant are in self-similarity correspondence with the motifs observed in the STM images from monolayer to the thickest Sn film.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Optical properties of highly compressed polystyrene: An ab initio study

Using all-electron density functional theory, we have performed an ab initio study on x ray absorption spectra of highly compressed polystyrene (CH). Here, we found that the K-edge shifts in strongly coupled, degenerate polystyrene cannot be explained by existing continuum-lowering models adopted in traditional plasma physics. To gain insights into the K edge shift in warm, dense CH, we have developed a model designated as “single-mixture-in-a-box” (SMIAB), which incorporates both the lowering of continuum and the rising of Fermi surface resulting from high compression. This simple SMIAB model correctly predicts the K-edge shift of carbon in highly compressed CH in good agreement with results from quantum-molecular-dynamics (QMD) calculations. Traditional opacity models failed to give the proper K-edge shifts as the CH density increased. Based on QMD calculations, we have established a first-principles opacity table (FPOT) for CH in a wide range of densities and temperatures [p = 0.1 to 100 g/cm 3 and T = 2000 to 1,000,000 K]. The FPOT gives much higher Rosseland mean opacity compared to the cold-opacity–patched astrophysics opacity table for warm, dense CH and favorably compares to the newly improved Los Alamos ATOMIC model for moderately compressed CH (pCH ≤10 g/cm 3 ) but remains a factor of 2 to 3 higher at extremely high densities (pCH ≥ 50 g/cm 3 ). We anticipate the established FPOT of CH will find important applications to reliable designs of high-energy-density experiments. Moreover, the understanding of K-edge shifting revealed in this study could provide guides for improving the traditional opacity models to properly handle the strongly coupled and degenerate conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Testing deviations from GR at cosmological scales including dynamical dark energy, massive neutrinos, functional or binned parametrizations, and spatial curvature

Here we introduce a new version of the Integrated Software in Testing General Relativity (ISiTGR) which is a patch to the software CAMB and CosmoMC . ISiTGR is intended to test deviations from GR at cosmological scales using cosmological datasets. While doing so, it allows for various extensions to the standard flat Λ cold dark matter model. In this new release, we have support for the following: (1) dynamical dark energy parametrizations with a constant or time-dependant equation of state; (2) a consistent implementation of anisotropic shear to model massive neutrinos throughout the full formalism; (3) multiple commonly used parametrizations of modified growth (MG) parameters; (4) functional, binned and hybrid time and scale dependencies for all MG parameters; (5) spatially flat or curved backgrounds. ISiTGR is designed to allow cosmological analyses to take full advantage of ongoing and future surveys to test simultaneously or separately various extensions to the standard model. We describe here the formalism and its implementation in the cosmic microwave background (CMB) code, the Integrated Sachs-Wolfe effect, and the 3 × 2 point statistics. Next, we apply ISiTGR to current datasets from Planck-2018, Planck-2015, Dark Energy Survey YR1 release, baryonic acoustic oscillations (BAO), redshift space distortions (BAO/RSD) from the BOSS Data Release 12, the 6DF Galaxy Survey and the SDSS Data Release 7 Main Galaxy Sample, and Supernova from the Pantheon compilation, joint SNLS/SDSS data analysis and the Hubble Space Telescope. We derive constraints on MG parameters for various combinations of the five features above and find that general relativity is consistent with current datasets in all cases.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Exploring the growth index γ L : Insights from different CMB dataset combinations and approaches

In this study we investigate the growth index γ L , which characterizes the growth of linear matter perturbations, while analysing different cosmological datasets. We compare the approaches implemented by two different patches of the cosmological solver : and __. In our analysis we uncover a deviation of the growth index from its expected Λ CDM value of 0.55 when utilizing the Planck dataset, both in the case and in the __ case, but in opposite directions. This deviation is accompanied by a change in the direction of correlations with derived cosmological parameters. However, the incorporation of cosmic microwave background lensing data helps reconcile γ L with its Λ -cold dark matter value in both cases. Conversely, the alternative ground-based telescopes Atacama Cosmology Telescope and South Pole Telescope consistently yield growth index values in agreement with γ L = 0.55 . We conclude that the presence of the A lens problem in the Planck dataset contributes to the observed deviations, underscoring the importance of additional datasets in resolving these discrepancies. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2025

Warm and fuzzy dark matter: Free streaming of wave dark matter

Wave or fuzzy dark matter that is produced with relativistic wave numbers exhibits free-streaming effects analogous to warm or hot particle dark matter with relativistic momenta. Axions produced after inflation provide such a warm or mildly relativistic candidate, where the enhanced suppression and observational bounds are only moderately stronger than that from wave propagation of initially cold axions. More generally, the free-streaming damping also impacts isocurvature fluctuations from generation in causally disconnected patches. As coherent spatial fluctuations free stream away they leave incoherent and transient superpositions in their wakes. These multiple wave momentum streams are the wave analog of particle phase space fluctuations or directional collisionless damping of massive neutrinos or hot dark matter. The observable impact on both adiabatic and isocurvature fluctuations of fuzzy dark matter can differ from their cold dark matter counterparts due to free streaming depending on how warm or hot is their momentum distribution.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

BICEP/ Keck XVIII: Measurement of BICEP3 polarization angles and consequences for constraining cosmic birefringence and inflation

We use a custom-made calibrator to measure individual detectors’ polarization angles of BICEP3, a small aperture telescope observing the cosmic microwave background (CMB) at 95 GHz from the South Pole. We describe our calibration strategy and the statistical and systematic uncertainties associated with the measurement. We reach an unprecedented precision for such measurement on a CMB experiment, with a repeatability for each detector pair of 0.02°. Here, we show that the relative angles measured using this method are in excellent agreement with those extracted from CMB data. Because the absolute measurement is currently limited by a systematic uncertainty, we do not derive cosmic birefringence constraints from BICEP3 data in this work. Rather, we forecast the sensitivity of BICEP3 sky maps for such analysis. We investigate the relative contributions of instrument noise, lensing, and dust, as well as astrophysical and instrumental systematics. We also explore the constraining power of different angle estimators, depending on analysis choices. We establish that the BICEP3 2-year dataset (2017–2018) has an on-sky sensitivity to the cosmic birefringence angle of 𝜎 𝛼 = 0.07⁢8°, which could be improved to 𝜎 𝛼 = 0.05⁢5° by adding all of the existing BICEP3 data (through 2023). Furthermore, we emphasize the possibility of using the BICEP3 sky patch as a polarization calibration source for CMB experiments, which with the present data could reach a precision of 0.035°. Finally, in the context of inflation searches, we investigate the impact of detector-to-detector variations in polarization angles as they may bias the tensor-to-scalar ratio 𝑟. We show that while the effect is expected to remain subdominant to other sources of systematic uncertainty, it can be reliably calibrated using polarization angle measurements such as the ones we present in this paper.

Cosmic microwave background↗
DOE OSTI2014

Comprehensive amplitude analysis of γ γ → π + π - , π 0 π 0 and K ¯ K below 1.5 GeV

In this paper we perform an amplitude analysis of essentially all published pion and kaon pair production data from two photon collisions below 1.5 GeV. This includes all the high statistics results from Belle, as well as older data from Mark II at SLAC, CELLO at DESY, Crystal Ball at SLAC. The purpose of this analysis is to provide as close to a model-independent determination of the γγ to meson pair amplitudes as possible. Having data with limited angular coverage, typically |cosθ| < 0.6-0.8, and no polarization information for reactions in which spin is an essential complication, the determination of the underlying amplitudes might appear an intractable problem. However, imposing the basic constraints required by analyticity, unitarity, and crossing-symmetry makes up for the experimentally missing information. Above 1.5 GeV multi-meson production channels become important and we have too little information to resolve the amplitudes. Nevertheless, below 1.5 GeV the two photon production of hadron pairs serves as a paradigm for the application of S-matrix techniques. Final state interactions among the meson pairs is critical to this analysis. To fix these, we include the latest ππ → ππ, K⁻K scattering amplitudes given by dispersive analyses, supplemented in the K⁻K threshold region by the recent precision Dalitz plot analysis from BaBar. With these hadronic amplitudes built into unitarity, we can constrain the overall description of γγ → ππ and K⁻K datasets, both integrated and differential cross-sections, including the high statistics charged and neutral pion data from Belle. A region of solutions is found for the γγ → ππ partial waves with both isospin 0 and 2. Since this analysis invokes coupled hadronic channels, even the relatively poor integrated cross-section data on γγ → K⁻K narrows the patch of solutions to essentially a single form. For this we present the complete partial wave amplitudes, show how well they fit all the available data, and give the two photon couplings of scalar and tensor resonances that appear.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Complexity, action, and black holes

In an earlier paper "Complexity Equals Action" we conjectured that the quantum computational complexity of a holographic state is given by the classical action of a region in the bulk (the `Wheeler-DeWitt' patch). We provide calculations for the results quoted in that paper, explain how it fits into a broader (tensor) network of ideas, and elaborate on the hypothesis that black holes are the fastest computers in nature.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Spacetime dynamics of a Higgs vacuum instability during inflation

A remarkable prediction of the Standard Model is that, in the absence of corrections lifting the energy density, the Higgs potential becomes negative at large field values. If the Higgs field samples this part of the potential during inflation, the negative energy density may locally destabilize the spacetime. Here, we use numerical simulations of the Einstein equations to study the evolution of inflation-induced Higgs fluctuations as they grow towards the true (negative-energy) minimum. Our simulations show that forming a single patch of true vacuum in our past light cone during inflation is incompatible with the existence of our Universe; the boundary of the true vacuum region grows outward in a causally disconnected manner from the crunching interior, which forms a black hole. We also find that these black hole horizons may be arbitrarily elongated—even forming black strings—in violation of the hoop conjecture. Furthermore, by extending the numerical solution of the Fokker-Planck equation to the exponentially suppressed tails of the field distribution at large field values, we derive a rigorous correlation between a future measurement of the tensor-to-scalar ratio and the scale at which the Higgs potential must receive stabilizing corrections in order for the Universe to have survived inflation until today.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

No evidence for dust B -mode decorrelation in Planck data

Constraints on inflationary B modes using cosmic microwave background polarization data commonly rely on either template cleaning or cross-spectra between maps at different frequencies to disentangle Galactic foregrounds from the cosmological signal. Assumptions about how the foregrounds scale with frequency are therefore crucial to interpreting the data. Recent results from the Planck satellite collaboration claim significant evidence for a decorrelation in the polarization signal of the spatial pattern of Galactic dust between 217 and 353 GHz. Such a decorrelation would suppress power in the cross-spectrum between high-frequency maps, where the dust is strong, and lower-frequency maps, where the sensitivity to cosmological B modes is strongest. Alternatively, it would leave residuals in lower-frequency maps cleaned with a template derived from the higher-frequency maps. If not accounted for, both situations would result in an underestimate of the dust contribution and thus an upward bias on measurements of the tensor-to-scalar ratio, r. In this paper, we revisit this measurement and find that the no-decorrelation hypothesis cannot be excluded with the Planck data. There are three main reasons for this: (i) There is significant noise bias in cross-spectra between Planck data splits that needs to be accounted for. (ii) There is strong evidence for unknown instrumental systematics, the amplitude of which we estimate using alternative Planck data splits. (iii) There are significant correlations between measurements in different sky patches that need to be taken into account when assessing the statistical significance. Finally, between ℓ = 55-90 and over 72% of the sky, the dust BB correlation between 217 and 353 GHz is 1.001 +.004/.021 -.004/.000 (68% stat/syst.) and shows no significant trend with the sky fraction.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Parameter constraints from cross-correlation of CMB lensing with galaxy clustering

The lensing convergence measurable with future CMB surveys like CMB-S4 will be highly correlated with the clustering observed by deep photometric large scale structure (LSS) surveys such as the LSST, with cross-correlation coefficient as high as 95%. This will enable use of sample variance cancellation techniques to determine cosmological parameters, and use of cross-correlation measurements to break parameter degeneracies. Assuming large sky overlap between CMB-S4 and LSST, we show that a joint analysis of CMB-S4 lensing and LSST clustering can yield very tight constraints on the matter amplitude σ 8 (z), halo bias, and f NL , competitive with the best stage IV experiment predictions, but using complementary methods, which may carry different and possibly lower systematics. Having no sky overlap between experiments degrades the precision of σ 8 (z) by a factor of 20, and that of f NL by a factor of 1.5 to 2. Without CMB lensing, the precision always degrades by an order of magnitude or more, showing that a joint analysis is critical. Here, our results also suggest that CMB lensing in combination with LSS photometric surveys is a competitive probe of the evolution of structure in the redshift range z ≃ 1–7, probing a regime that is not well tested observationally. We explore predictions against other surveys and experiment configurations, finding that wide patches with maximal sky overlap between CMB and LSS surveys are most powerful for σ 8 (z) and f NL .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Programmable self-assembly of diamond polymorphs from chromatic patchy particles

In this paper, we present a method of controlling polymorphism in self-assembly and apply it to the long-standing problem of assembly of a colloidal diamond. The latter is often viewed as the “holy grail” of the self-assembly field, due to the challenge that it presents as well as thanks to its potential as a step towards manufacturing of photonic band-gap materials. In our approach, we use a “chromatic” version of traditional building blocks, the so-called patchy particle. Namely, the individual patches that belong to the same particle in our model are distinguishable (“colored”) and their pairwise interactions are color dependent, which could be implemented with the help of DNA fictionalization. We propose a design procedure and verify it with the help of Brownian dynamics simulations. Not only are we able to “program” the self-assembly of a high-quality cubic diamond lattice, but a small modification of the coloring scheme also allows us to “reprogram” the system to assemble into the alternative polymorph, a hexagonal diamond.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Adiabatic behavior of an elliptical vortex in a time-dependent external strain flow

The adiabatic behavior of two-dimensional (2D) fluid vortices subject to slowly varying, time-dependent external strain flows is studied theoretically, and experimentally using magnetized non-neutral electron plasmas. Here the E × B drift dynamics of the electrons perpendicular to the magnetic field are analogous to the motion of fluid vorticity under the 2D Euler equations describing ideal fluids. A low-dimensional elliptical vortex patch model is used along with a WKB approximation to derive a formula for the breaking of an adiabatic invariant due to the changing external flow. The invariant is interpreted as the amplitude of a perturbative oscillation about a stable fixed point corresponding to a steady elliptical vortex. Smooth, hyperbolic tangent and piecewise linear ramp functions are considered for the external strain time dependence. Standard exponential breaking is observed in the former case, whereas the latter exhibits a power-law breaking curve with periodic modulation. It is found that a driving term in the equations of motion contributes the majority of the breaking whereas the frequency variation plays a weaker, but significant role. The experimental data agree closely with the theoretical model. The most significant deviation is due to inviscid damping behavior associated with the smooth edges of the experimental vortices, which tends to reduce the amplitude of the oscillation. Finally, the results are compared and contrasted with other related experimental, numerical, and theoretical work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Joint Analysis of BICEP2/ Keck Array and Planck Data

Here, we report the results of a joint analysis of data from BICEP2/Keck Array and Planck . BICEP2 and Keck Array have observed the same approximately 400 deg 2 patch of sky centered on RA 0 h, Dec. -57.5°. The combined maps reach a depth of 57 nK deg in Stokes Q and U in a band centered at 150 GHz. Planck has observed the full sky in polarization at seven frequencies from 30 to 353 GHz, but much less deeply in any given region (1.2 μK deg in Q and U at 143 GHz). We detect 150×353 cross-correlation in B modes at high significance. We fit the single- and cross-frequency power spectra at frequencies ≥150 GHz to a lensed-ΛCDM model that includes dust and a possible contribution from inflationary gravitational waves (as parametrized by the tensor-to-scalar ratio r), using a prior on the frequency spectral behavior of polarized dust emission from previous Planck analysis of other regions of the sky. We find strong evidence for dust and no statistically significant evidence for tensor modes. We probe various model variations and extensions, including adding a synchrotron component in combination with lower frequency data, and find that these make little difference to the r constraint. Finally, we present an alternative analysis which is similar to a map-based cleaning of the dust contribution, and show that this gives similar constraints. Lastly,l the final result is expressed as a likelihood curve for r, and yields an upper limit r 0.05 < 0.12 at 95% confidence. Marginalizing over dust and r, lensing B modes are detected at 7.0σ significance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Dipole of the Epoch of reionization 21-cm signal

The motion of the Solar System with respect to the cosmic rest frame modulates the monopole of the epoch of reionization 21-cm signal into a dipole. This dipole has a characteristic frequency dependence that is dominated by the frequency derivative of the monopole signal. We argue that although the signal is weaker by a factor of ~100, there are significant benefits in measuring the dipole. Most importantly, the direction of the cosmic velocity vector is known exquisitely well from the cosmic microwave background and is not aligned with the galaxy velocity vector that modulates the foreground monopole. Furthermore, an experiment designed to measure a dipole can rely on differencing patches of the sky rather than making an absolute signal measurement, which helps with some systematic effects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Quantitative Characterization of the Nanoscale Local Lattice Strain Induced by Sr Dopants in La 1.92 Sr 0.08 CuO 4

Here, the nanometer scale lattice deformation brought about by the dopants in the high temperature superconducting cuprate La 2-x Sr x CuO 4 (x = 0.08) was investigated by measuring the associated x-ray diffuse scattering around multiple Bragg peaks. A characteristic diffuse scattering pattern was observed, which can be well described by continuum elastic theory. With the fitted dipole force parameters, the acoustic-type lattice deformation pattern was reconstructed and found to be of similar size to lattice thermal vibration at 7 K. Our results address the long-term concern of dopant introduced local lattice inhomogeneity, and show that the associated nanometer scale lattice deformation is marginal and cannot, alone, be responsible for the patched variation in the spectral gaps observed with scanning tunneling microscopy in the cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗