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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2023

Learning Many-Body Hamiltonians with Heisenberg-Limited Scaling

Learning a many-body Hamiltonian from its dynamics is a fundamental problem in physics. Here, in this Letter, we propose the first algorithm to achieve the Heisenberg limit for learning an interacting N-qubit local Hamiltonian. After a total evolution time of $\mathscr{O}$⁡(ε –1 ), the proposed algorithm can efficiently estimate any parameter in the N-qubit Hamiltonian to ε error with high probability. Our algorithm uses ideas from quantum simulation to decouple the unknown N-qubit Hamiltonian H into noninteracting patches and learns H using a quantum-enhanced divide-and-conquer approach. The proposed algorithm is robust against state preparation and measurement error, does not require eigenstates or thermal states, and only uses polylog⁡(ε –1 ) experiments. In contrast, the best existing algorithms require $\mathscr{O}$⁡⁡(ε –2 ) experiments and total evolution time. We prove a matching lower bound to establish the asymptotic optimality of our algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Self-generated electrokinetic flows from active-charged boundary patterns

We develop a hydrodynamic description of self-generated electrolyte flow in capillaries whose bounding walls feature nonuniform distributions of charge nonuniform active ionic fluxes. The hydrodynamic velocity arising in such a system has components that are forbidden by symmetry in the absence of charge and fluxes. However, when these two boundary mechanisms are simultaneously present, they can lead to a symmetry broken state where steady flows with both unidirectional and circulatory components emerge. We show that these flow states arise when modulated boundary patterns of charge and fluxes are offset by a flux-charge phase difference, which is associated with the separation between sites of their peak densities on the wall. Mismatch in diffusivity of cationic and anionic species can modify the flow states and becomes an enhancing factor when fluxes of both ion species are being produced together at the same site. We demonstrate that this mechanism can be realized with a microfluidic generator that is powered by enzyme-coated patches that catalyze reactants in the solution to produce fluxes of ions. The local ionic elevation or depletion, which disrupts a nonuniform double layer, promotes self-induced gradients yielding persistent body forces to generate bulk fluid motion. Our work quantifies a boundary-driven mechanism behind self-sustained electrolyte flow in confined environments that exists without any external bulk-imposed fields or gradients. It provides a theoretical framework for understanding the combined effect of active and charged boundaries that are relevant in biological or soft matter systems, and can be utilized in electrofluidic and iontronic applications.

active matter↗
DOE OSTI2025

Rare events and Griffiths phases in topological quantum error correction

The performance of quantum error correcting (QEC) codes is often studied under the assumption of spatiotemporally uniform error rates. On the other hand, experimental implementations almost always produce heterogeneous error rates, in either space or time, as a result of effects such as imperfect fabrication and/or cosmic rays. It is therefore important to understand if and how their presence can affect the performance of QEC in qualitative ways. Here, in this work, we study the effects of nonuniform error rates in the representative examples of the 1D repetition code and the 2D toric code, focusing on when they have extended spatiotemporal correlations; these may arise, for instance, from rare events (such as cosmic rays) that temporarily elevate error rates over the entire code patch. These effects can be described in the corresponding statistical mechanics models for decoding, where long-range correlations in the error rates lead to extended rare regions of weaker coupling. For the 1D repetition code where the rare regions are linear, we find two distinct decodable phases: a conventional ordered phase in which logical failure rates decay exponentially with the code distance, and a rare-region dominated Griffiths phase in which failure rates are parametrically larger and decay as a stretched exponential. In particular, the latter phase is present when the error rates in the rare regions are above the bulk threshold. For the 2D toric code where the rare regions are planar, we find no decodable Griffiths phase: rare events which boost error rates above the bulk threshold lead to an asymptotic loss of threshold and failure to decode. Unpacking the failure mechanism implies that techniques for suppressing extended sequences of repeated rare events (which, without intervention, will be statistically present with high probability) will be crucial for QEC with the toric code.

classical statistical mechanics↗
DOE OSTI2013

Protein–peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase

A rational surface-engineering approach led to the crystal structure determination of ERK2–docking peptide complexes. Linear motifs normally bind with only medium binding affinity (K{sub d} of ∼0.1–10 µM) to shallow protein-interaction surfaces on their binding partners. The crystallization of proteins in complex with linear motif-containing peptides is often challenging because the energy gained upon crystal packing between symmetry mates in the crystal may be on a par with the binding energy of the protein–peptide complex. Furthermore, for extracellular signal-regulated kinase 2 (ERK2) the protein–peptide docking surface is comprised of a small hydrophobic surface patch that is often engaged in the crystal packing of apo ERK2 crystals. Here, a rational surface-engineering approach is presented that involves mutating protein surface residues that are distant from the peptide-binding ERK2 docking groove to alanines. These ERK2 surface mutations decrease the chance of ‘unwanted’ crystal packing of ERK2 and the approach led to the structure determination of ERK2 in complex with new docking peptides. These findings highlight the importance of negative selection in crystal engineering for weakly binding protein–peptide complexes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Context-dependent protein folding of a virulence peptide in the bacterial and host environments: structure of an SycH–YopH chaperone–effector complex

The structure of a SycH–YopH chaperone–effector complex from Yersinia reveals the bacterial state of a protein that adopts different folds in the host and pathogen environments. Yersinia pestis injects numerous bacterial proteins into host cells through an organic nanomachine called the type 3 secretion system. One such substrate is the tyrosine phosphatase YopH, which requires an interaction with a cognate chaperone in order to be effectively injected. Here, the first crystal structure of a SycH–YopH complex is reported, determined to 1.9 Å resolution. The structure reveals the presence of (i) a nonglobular polypeptide in YopH, (ii) a so-called β-motif in YopH and (iii) a conserved hydrophobic patch in SycH that recognizes the β-motif. Biochemical studies establish that the β-motif is critical to the stability of this complex. Finally, since previous work has shown that the N-terminal portion of YopH adopts a globular fold that is functional in the host cell, aspects of how this polypeptide adopts radically different folds in the host and in the bacterial environments are analysed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

High-resolution structure of the M14-type cytosolic carboxypeptidase from Burkholderia cenocepacia refined exploiting PDB-REDO strategies

The structure of a bacterial M14-family carboxypeptidase determined exploiting microfocus synchrotron radiation and highly automated refinement protocols reveals its potential to act as a polyglutamylase. A potential cytosolic metallocarboxypeptidase from Burkholderia cenocepacia has been crystallized and a synchrotron-radiation microfocus beamline allowed the acquisition of diffraction data to 1.9 Å resolution. The asymmetric unit comprises a tetramer containing over 1500 amino acids, and the high-throughput automated protocols embedded in PDB-REDO were coupled with model–map inspections in refinement. This approach has highlighted the value of such protocols for efficient analyses. The subunit is constructed from two domains. The N-terminal domain has previously only been observed in cytosolic carboxypeptidase (CCP) proteins. The C-terminal domain, which carries the Zn{sup 2+}-containing active site, serves to classify this protein as a member of the M14D subfamily of carboxypeptidases. Although eukaryotic CCPs possess deglutamylase activity and are implicated in processing modified tubulin, the function and substrates of the bacterial family members remain unknown. The B. cenocepacia protein did not display deglutamylase activity towards a furylacryloyl glutamate derivative, a potential substrate. Residues previously shown to coordinate the divalent cation and that contribute to peptide-bond cleavage in related enzymes such as bovine carboxypeptidase are conserved. The location of a conserved basic patch in the active site adjacent to the catalytic Zn{sup 2+}, where an acetate ion is identified, suggests recognition of the carboxy-terminus in a similar fashion to other carboxypeptidases. However, there are significant differences that indicate the recognition of substrates with different properties. Of note is the presence of a lysine in the S1′ recognition subsite that suggests specificity towards an acidic substrate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The structure of cytomegalovirus immune modulator UL141 highlights structural Ig-fold versatility for receptor binding

The crystal structure of Human cytomegalovirus immune modulator UL141 was solved at 3.25 Å resolution. Here, a detailed analysis of its intimate dimerization interface and the biophysical properties of its receptor (TRAIL-R2 and CD155) binding interactions are presented. Natural killer (NK) cells are critical components of the innate immune system as they rapidly detect and destroy infected cells. To avoid immune recognition and to allow long-term persistence in the host, Human cytomegalovirus (HCMV) has evolved a number of genes to evade or inhibit immune effector pathways. In particular, UL141 can inhibit cell-surface expression of both the NK cell-activating ligand CD155 as well as the TRAIL death receptors (TRAIL-R1 and TRAIL-R2). The crystal structure of unliganded HCMV UL141 refined to 3.25 Å resolution allowed analysis of its head-to-tail dimerization interface. A ‘dimerization-deficient’ mutant of UL141 (ddUL141) was further designed, which retained the ability to bind to TRAIL-R2 or CD155 while losing the ability to cross-link two receptor monomers. Structural comparison of unliganded UL141 with UL141 bound to TRAIL-R2 further identified a mobile loop that makes intimate contacts with TRAIL-R2 upon receptor engagement. Superposition of the Ig-like domain of UL141 on the CD155 ligand T-cell immunoreceptor with Ig and ITIM domains (TIGIT) revealed that UL141 can potentially engage CD155 similar to TIGIT by using the C′C′′ and GF loops. Further mutations in the TIGIT binding site of CD155 (Q63R and F128R) abrogated UL141 binding, suggesting that the Ig-like domain of UL141 is a viral mimic of TIGIT, as it targets the same binding site on CD155 using similar ‘lock-and-key’ interactions. Sequence alignment of the UL141 gene and its orthologues also showed conservation in this highly hydrophobic (L/A)X{sub 6}G ‘lock’ motif for CD155 binding as well as conservation of the TRAIL-R2 binding patches, suggesting that these host–receptor interactions are evolutionary conserved.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Interaction of the amyloid precursor protein-like protein 1 (APLP1) E2 domain with heparan sulfate involves two distinct binding modes

Two X-ray structures of APLP1 E2 with and without a heparin dodecasaccharide are presented, revealing two distinct binding modes of the protein to heparan sulfate. The data provide a mechanistic explanation of how APP-like proteins bind to heparan sulfates and how they specifically recognize nonreducing structures of heparan sulfates. Beyond the pathology of Alzheimer’s disease, the members of the amyloid precursor protein (APP) family are essential for neuronal development and cell homeostasis in mammals. APP and its paralogues APP-like protein 1 (APLP1) and APP-like protein 2 (APLP2) contain the highly conserved heparan sulfate (HS) binding domain E2, which effects various (patho)physiological functions. Here, two crystal structures of the E2 domain of APLP1 are presented in the apo form and in complex with a heparin dodecasaccharide at 2.5 Å resolution. The apo structure of APLP1 E2 revealed an unfolded and hence flexible N-terminal helix αA. The (APLP1 E2){sub 2}–(heparin){sub 2} complex structure revealed two distinct binding modes, with APLP1 E2 explicitly recognizing the heparin terminus but also interacting with a continuous heparin chain. The latter only requires a certain register of the sugar moieties that fits to a positively charged surface patch and contributes to the general heparin-binding capability of APP-family proteins. Terminal binding of APLP1 E2 to heparin specifically involves a structure of the nonreducing end that is very similar to heparanase-processed HS chains. These data reveal a conserved mechanism for the binding of APP-family proteins to HS and imply a specific regulatory role of HS modifications in the biology of APP and APP-like proteins.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗