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At least 595 records · Page 33

Application of an efficient hybrid scheme for aeroelastic analysis of advanced propellers

An efficient 3-D hybrid scheme is applied for solving Euler equations to analyze advanced propellers. The scheme treats the spanwise direction semi-explicitly and the other two directions implicitly, without affecting the accuracy, as compared to a fully implicit scheme. This leads to a reduction in computer time and memory requirement. The calculated power coefficients for two advanced propellers, SR3 and SR7L, and various advanced ratios showed good correlation with experiment. Spanwise distribution of elemental power coefficient and steady pressure coefficient differences also showed good agreement with experiment. A study of the effect of structural flexibility on the performance of the advanced propellers showed that structural deformation due to centrifugal and aero loading should be included for better correlation.

Srivastava, R.↗

The barberplaid illusion: plaid motion is biased by elongated apertures

The perceived direction of motion of plaids windowed by elongated spatial Gaussians is biased toward the window's long axis. The bias increases as the relative angle between the plaid motion and the long axis of the window increases, peaks at a relative angle of approximately 45 deg, and then decreases. The bias increases as the window is made narrower (at fixed height) and decreases as the component spatial frequency increases (at fixed aperture size). We examine several models of human motion processing (cross-correlation, motion-energy, intersection-of-constraints, and vector-sum), and show that none of these standard models can predict our data. We conclude that spatial integration of motion signals plays a crucial role in plaid motion perception and that current models must be explicitly expanded to include such spatial interactions.

NASA Center ARC↗

Time reversal, SU(N) Yang–Mills and cobordisms: Interacting topological superconductors/insulators and quantum spin liquids in 3+1D

We introduce a web of strongly correlated interacting 3+1D topological superconductors/insulators of 10 particular global symmetry groups of Cartan classes, realizable in electronic condensed matter systems, and their new SU(N) generalizations. The symmetries include SU(N), SU(2), U(1), fermion parity, time reversal and relate to each other through symmetry embeddings. We overview the lattice Hamiltonian formalism. We complete the list of field theories of bulk symmetry-protected topological invariants (SPT invariants/partition functions that exhibit boundary ’t Hooft anomalies) via cobordism calculations, matching their full classification. We also present explicit 4-manifolds that detect these SPTs. On the other hand, once we dynamically gauge part of their global symmetries, we arrive in various new phases of SU(N) Yang–Mills (YM) gauge theories, analogous to quantum spin liquids with emergent gauge fields. We discuss how coupling YM theories to time reversal-SPTs affects the strongly coupled theories at low energy. For example, we point out a possibility of having two deconfined gapless time-reversal symmetric SU(2) YM theories at θ=π as two distinct conformal field theories, which although are secretly indistinguishable by correlators of local operators on orientable spacetimes nor by gapped SPT states, can be distinguished on non-orientable spacetimes or potentially by correlators of extended operators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Incorporating microbial dormancy dynamics into soil decomposition models to improve quantification of soil carbon dynamics of northern temperate forests

Abstract Soil carbon dynamics of terrestrial ecosystems play a significant role in the global carbon cycle. Microbial‐based decomposition models have seen much growth recently for quantifying this role, yet dormancy as a common strategy used by microorganisms has not usually been represented and tested in these models against field observations. Here we developed an explicit microbial‐enzyme decomposition model and examined model performance with and without representation of microbial dormancy at six temperate forest sites of different forest types. We then extrapolated the model to global temperate forest ecosystems to investigate biogeochemical controls on soil heterotrophic respiration and microbial dormancy dynamics at different temporal‐spatial scales. The dormancy model consistently produced better match with field‐observed heterotrophic soil CO 2 efflux ( R H ) than the no dormancy model. Our regional modeling results further indicated that models with dormancy were able to produce more realistic magnitude of microbial biomass (<2% of soil organic carbon) and soil R H (7.5 ± 2.4 Pg C yr −1 ). Spatial correlation analysis showed that soil organic carbon content was the dominating factor (correlation coefficient = 0.4–0.6) in the simulated spatial pattern of soil R H with both models. In contrast to strong temporal and local controls of soil temperature and moisture on microbial dormancy, our modeling results showed that soil carbon‐to‐nitrogen ratio (C:N) was a major regulating factor at regional scales (correlation coefficient = −0.43 to −0.58), indicating scale‐dependent biogeochemical controls on microbial dynamics. Our findings suggest that incorporating microbial dormancy could improve the realism of microbial‐based decomposition models and enhance the integration of soil experiments and mechanistically based modeling.

He, Yujie↗

Nonlinear Interface Reduction for Time-Domain Analysis of Hurty/Craig-Bampton Superelements with Frictional Contact

Virtual prototyping in engineering design relies today on modern numerical models of contacting structures with accurate resolution of interface mechanics, which strongly affect the system-level stiffness and energy dissipation due to frictional losses. High-fidelity modeling within the localized interfaces is required to resolve local quantities of interest that may drive design decisions. The high-resolution finite element meshes necessary to resolve inter-component stresses tend to be computationally expensive, particularly when the analyst is interested in response time histories. The Hurty/Craig-Bampton (HCB) transformation is a widely used method in structural dynamics for reducing the interior portion of a finite element model while having the ability to retain all nonlinear contact degrees of freedom (DOF) in physical coordinates. These models may still require many DOF to adequately resolve the kinematics of the interface, leading to inadequate reduction and computational savings. This study proposes a novel interface reduction method to overcome these challenges by means of system-level characteristic constraint (SCC) modes and properly orthogonal interface modal derivatives (POIMDs) for transient dynamic analyses. Both SCC modes and POIMDs are computed using the reduced HCB mass and stiffness matrices, which can be directly computed from many commercial finite element analysis software. Comparison of time history responses to an impulse-type load in a mechanical beam assembly indicate that the interface-reduced model correlates well with the HCB truth model. Localized features like slip and contact area are well-represented in the time domain when the beam assembly is loaded with a broadband excitation. The proposed method also yields reduced-order models with greater critical timestep lengths for explicit integration schemes.

42 ENGINEERING↗

Energy-energy correlators in 𝑒 + ⁢𝑒 − annihilation and deep inelastic scattering

We study energy-energy correlators (EECs) in 𝑒 + ⁢𝑒 − annihilation and deep inelastic lepton-hadron scattering (DIS), focusing on aspects of nonperturbative physics in these observables. We introduce the EEC jet functions and investigate the infrared behavior of both small-angle EECs and angle-integrated EECs by performing explicit one-loop calculations. The factorization and universality of the EECs in these processes are demonstrated. A matching scheme is proposed to smoothly connect kinematic regions where different scaling behaviors with jet energy are observed. In combination with the next-to-leading order correction, this matching provides a good description of the EEC data and pythia simulations in high-energy 𝑒 + ⁢𝑒 − annihilation. Predictions for DIS processes for future electron-ion collider kinematics are also presented.

Guo, Yuxun [Lawrence Berkeley National Laboratory ↗

Structural changes caused by radiation-induced reduction and radiolysis: the effect of X-ray absorbed dose in a fungal multicopper oxidase

Radiation-induced reduction, radiolysis of copper sites and the effect of pH value together with the concomitant geometrical distortions of the active centres were analysed in several fungal (C. gallica) laccase structures collected at cryotemperature. This study emphasizes the importance of careful interpretation when the crystallographic structure of a metalloprotein is described. X-ray radiation induces two main effects at metal centres contained in protein crystals: radiation-induced reduction and radiolysis and a resulting decrease in metal occupancy. In blue multicopper oxidases (BMCOs), the geometry of the active centres and the metal-to-ligand distances change depending on the oxidation states of the Cu atoms, suggesting that these alterations are catalytically relevant to the binding, activation and reduction of O{sub 2}. In this work, the X-ray-determined three-dimensional structure of laccase from the basidiomycete Coriolopsis gallica (Cg L), a high catalytic potential BMCO, is described. By combining spectroscopic techniques (UV–Vis, EPR and XAS) and X-ray crystallography, structural changes at and around the active copper centres were related to pH and absorbed X-ray dose (energy deposited per unit mass). Depletion of two of the four active Cu atoms as well as low occupancies of the remaining Cu atoms, together with different conformations of the metal centres, were observed at both acidic pH and high absorbed dose, correlating with more reduced states of the active coppers. These observations provide additional evidence to support the role of flexibility of copper sites during O{sub 2} reduction. This study supports previous observations indicating that interpretations regarding redox state and metal coordination need to take radiation effects explicitly into account.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A micromechanics-based strength prediction methodology for notched metal matrix composites

An analytical micromechanics based strength prediction methodology was developed to predict failure of notched metal matrix composites. The stress-strain behavior and notched strength of two metal matrix composites, boron/aluminum (B/Al) and silicon-carbide/titanium (SCS-6/Ti-15-3), were predicted. The prediction methodology combines analytical techniques ranging from a three dimensional finite element analysis of a notched specimen to a micromechanical model of a single fiber. In the B/Al laminates, a fiber failure criteria based on the axial and shear stress in the fiber accurately predicted laminate failure for a variety of layups and notch-length to specimen-width ratios with both circular holes and sharp notches when matrix plasticity was included in the analysis. For the SCS-6/Ti-15-3 laminates, a fiber failure based on the axial stress in the fiber correlated well with experimental results for static and post fatigue residual strengths when fiber matrix debonding and matrix cracking were included in the analysis. The micromechanics based strength prediction methodology offers a direct approach to strength prediction by modeling behavior and damage on a constituent level, thus, explicitly including matrix nonlinearity, fiber matrix debonding, and matrix cracking.

Bigelow, C. A.↗

A micromechanics-based strength prediction methodology for notched metal-matrix composites

An analytical micromechanics-based strength prediction methodology was developed to predict failure of notched metal matrix composites. The stress-strain behavior and notched strength of two metal matrix composites, boron/aluminum (B/Al) and silicon-carbide/titanium (SCS-6/Ti-15-3), were predicted. The prediction methodology combines analytical techniques ranging from a three-dimensional finite element analysis of a notched specimen to a micromechanical model of a single fiber. In the B/Al laminates, a fiber failure criteria based on the axial and shear stress in the fiber accurately predicted laminate failure for a variety of layups and notch-length to specimen-width ratios with both circular holes and sharp notches when matrix plasticity was included in the analysis. For the SCS-6/Ti-15-3 laminates, a fiber failure based on the axial stress in the fiber correlated well with experimental results for static and postfatigue residual strengths when fiber matrix debonding and matrix cracking were included in the analysis. The micromechanics-based strength prediction methodology offers a direct approach to strength prediction by modeling behavior and damage on a constituent level, thus, explicitly including matrix nonlinearity, fiber matrix debonding, and matrix cracking.

Bigelow, C. A.↗

Structure, thermodynamic properties, and phase diagrams of few colloids confined in a spherical pore

We study a system of few colloids confined in a small spherical cavity with event driven molecular dynamics simulations in the canonical ensemble. The colloidal particles interact through a short range square-well potential that takes into account the basic elements of attraction and excluded-volume repulsion of the interaction among colloids. We analyze the structural and thermodynamic properties of this few-body confined system in the framework of inhomogeneous fluids theory. Pair correlation function and density profile are used to determine the structure and the spatial characteristics of the system. Pressure on the walls, internal energy, and surface quantities such as surface tension and adsorption are also analyzed for a wide range of densities and temperatures. We have characterized systems from 2 to 6 confined particles, identifying distinctive qualitative behavior over the thermodynamic plane T − ρ, in a few-particle equivalent to phase diagrams of macroscopic systems. Applying the extended law of corresponding states, the square well interaction is mapped to the Asakura-Oosawa model for colloid-polymer mixtures. We link explicitly the temperature of the confined square-well fluid to the equivalent packing fraction of polymers in the Asakura-Oosawa model. Using this approach, we study the confined system of few colloids in a colloid-polymer mixture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Projecting species’ vulnerability to climate change: Which uncertainty sources matter most and extrapolate best?

Species distribution models (SDMs) are commonly used to assess potential climate change impacts on biodiversity, but several critical methodological decisions are often made arbitrarily. We compare variability arising from these decisions to the uncertainty in future climate change itself. We also test whether certain choices offer improved skill for extrapolating to a changed climate and whether internal cross-validation skill indicates extrapolative skill.We compared projected vulnerability for 29 wetland-dependent bird species breeding in the climatically dynamic Prairie Pothole Region, USA. For each species we built 1,080 SDMs to represent a unique combination of: future climate, class of climate covariates, collinearity level, and thresholding procedure. We examined the variation in projected vulnerability attributed to each uncertainty source. To assess extrapolation skill under a changed climate, we compared model predictions with observations from historic drought years. Uncertainty in projected vulnerability was substantial, and the largest source was that of future climate change. Large uncertainty was also attributed to climate covariate class with hydrological covariates projecting half the range loss of bioclimatic covariates or other summaries of temperature and precipitation. We found that choices based on performance in cross-validation improved skill in extrapolation. Qualitative rankings were also highly uncertain. Given uncertainty in projected vulnerability and resulting uncertainty in rankings used for conservation prioritization, a number of considerations appear critical for using bioclimatic SDMs to inform climate change mitigation strategies. Our results emphasize explicitly selecting climate summaries that most closely represent processes likely to underlie ecological response to climate change. For example, hydrological covariates projected substantially reduced vulnerability, highlighting the importance of considering whether water availability may be a more proximal driver than precipitation. However, because cross-validation results were correlated with extrapolation results, the use of cross-validation performance metrics to guide modeling choices where knowledge is limited was supported.

thresholds↗

Thermal out-of-time-order correlators, KMS relations, and spectral functions

We describe general features of thermal correlation functions in quantum systems, with specific focus on the fluctuation-dissipation type relations implied by the KMS condition. These end up relating correlation functions with different time ordering and thus should naturally be viewed in the larger context of out-of-time-ordered (OTO) observables. In particular, eschewing the standard formulation of KMS relations where thermal periodicity is combined with time-reversal to stay within the purview of Schwinger-Keldysh functional integrals, we show that there is a natural way to phrase them directly in terms of OTO correlators. We use these observations to construct a natural causal basis for thermal n-point functions in terms of fully nested commutators. We provide several general results which can be inferred from cyclic orbits of permutations, and exemplify the abstract results using a quantum oscillator as an explicit example.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Unified micromechanics of damping for unidirectional and off-axis fiber composites

An integrated micromechanics methodology for the prediction of damping capacity in fiber-reinforced polymer matrix unidirectional composites has been developed. Explicit micromechanics equations based on hysteretic damping are presented relating the on-axis damping capacities to the fiber and matrix properties and fiber volume ratio. The damping capacities of unidirectional composites subjected to off-axis loading are synthesized from on-axis damping values. Predicted values correlate satisfactorily with experimental measurements. The hygro-thermal effect on the damping performance of unidirectional composites caused by temperature and moisture variations is also modeled. The damping contributions from interfacial friction between broken fibers and matrix are incorporated. Finally, the temperature rise in continuously vibrating composite plies is estimated. Application examples illustrate the significance of various parameters on the damping performance of unidirectional and off-axis fiber reinforced composites.

Saravanos, Dimitris A.↗

Discrete Graph Structure Learning for Forecasting Multiple Time Series

Time series forecasting is an extensively studied subject in statistics, economics, and computer science. Exploration of the correlation and causation among the variables in a multivariate time series shows promise in enhancing the performance of a time series model. When using deep neural networks as forecasting models, we hypothesize that exploiting the pairwise information among multiple (multivariate) time series also improves their forecast. If an explicit graph structure is known, graph neural networks (GNNs) have been demonstrated as powerful tools to exploit the structure. In this work, we propose learning the structure simultaneously with the GNN if the graph is unknown. We cast the problem as learning a probabilistic graph model through optimizing the mean performance over the graph distribution. The distribution is parameterized by a neural network so that discrete graphs can be sampled differentiably through reparameterization. Empirical evaluations show that our method is simpler, more efficient, and better performing than a recently proposed bilevel learning approach for graph structure learning, as well as a broad array of forecasting models, either deep or non-deep learning based, and graph or non-graph based.

Shang, Chao↗

Modified Closures in Monte Carlo Algorithms for Diffusive Binary Stochastic Media Transport Problems

In a stochastic medium, the material properties at a given spatial location are known only statistically. The most common approach to solving particle transport problems involving binary stochastic media (BSM) is to use the atomic mix approximation in which the transport problem is solved using homogenized (volume-averaged) material properties. A common deterministic model developed for solving BSM particle transport problems is the Levermore-Pomraning (LP) model. Zimmerman and Adams proposed a Monte Carlo algorithm (Algorithm A) that solves the LP equations and another Monte Carlo algorithm (Algorithm B) that locally preserves the sampled material realization; we refer to these Monte Carlo algorithms as the LP and LPLRP (LP local realization preserving) algorithms, respectively. One-dimensional (1D) planar geometry benchmark studies have shown that the LPLRP algorithm is often significantly more accurate than the LP algorithm for problems with an incident angular flux as well as for problems with an interior source. The LPLRP algorithm implementation in these benchmark comparisons made explicit use of the one-dimensional nature of the problem. The LP model is derived by assuming an 'upwind' closure in the coupling term relating the two materials in a binary stochastic medium. Su and Pomraning developed a modified form of this closure by considering the small correlation length limit and requiring the modified closure to produce the correct exponential decay for a source-free half-line albedo problem in rod geometry. They concluded that the modified closure is generally not inferior to the LP closure and in some cases is significantly better. Brantley investigated the use of the Su-Pomraning (SP) closure in the Monte Carlo LP algorithm (LP-SP) for the suite of benchmark problems and concluded that 1) the LP-SP algorithm was somewhat more accurate overall than the LP algorithm and somewhat less accurate overall than the LPLRP algorithm for an incident angular flux benchmark suite, and 2) the LP-SP algorithm was generally the least accurate of the algorithms for an interior source benchmark suite. Larsen et al. performed an asymptotic analysis of the transport equation in 1D planar geometry for the situation in which the physical system is 1) a random binary stochastic medium with material macroscopic total cross sections and mean slab width values of O(1) or smaller and 2) optically thick with weak absorption and sources at each spatial point and therefore globally diffusive. The asymptotic analysis demonstrates that, under these assumptions, the transport equation limits to the conventional diffusion equation with atomically-mixed (volume-averaged) material properties. Larsen et al. also demonstrate that, under these same assumptions, the LP equations asymptotically limit to an atomically-mixed diffusion equation with a diffusion coefficient that is too large, leading to an unphysical flattening of the ensemble-averaged scalar flux distribution. Vasques and Yadav recently performed an asymptotic analysis of an adjusted Levermore-Pomraning closure in which the Markovian transition functions are rescaled such that the equations asymptotically limit to the correct atomically-mixed diffusion equation; we refer to this model as LP-VY. In this paper, we demonstrate that the adjusted LP closure proposed by Vasques and Yadav is a special case of the SP closure obtained by assuming that the absorption cross sections in the two materials are equal. We further demonstrate that the Su-Pomraning closure has the correct asymptotic limit for the diffusive physical system and is therefore an appropriate closure for these problems. We also describe how to incorporate these various closures into the Monte Carlo LP and LPLRP particle transport algorithms, and we present numerical results comparing the accuracy of the Monte Carlo LP, LP-VY, LP-SP, LPLRP, and LPLRP-SP algorithms for the set of diffusive benchmark problems. We demonstrated that the SP closure has the correct asymptotic limit for the diffusive physical system under investigation in this paper and that the VY closure is a special case of the SP closure obtained by assuming equal absorption in the two materials. Both of these closures are readily implemented in the Monte Carlo LP and LPLRP algorithms for particle transport in BSM. Through numerical comparisons to a diffusive benchmark suite, we confirmed that 1) the LP and LPLRP algorithms do not limit to the appropriate diffusion solution and 2) the LP-VY, LP-SP, and LPLRP-SP algorithms limit to the appropriate diffusion solution and are of comparable accuracy. The LPLRP algorithm has been shown to be generally more accurate than the LP algorithm for non-diffusive problems. However, the numerical results in this paper indicate that the LPLRP algorithm does not limit to the correct diffusion equation for the asymptotic limit under consideration. The work in this paper demonstrates that the SP algorithm does limit to the correct diffusion equation for the asymptotic limit considered. Future work will investigate the possibility of whether the LPLRP-SP algorithm is accurate for both diffusive and non-diffusive problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Coherent Superconductivity with a Large Gap Ratio from Incoherent Metals

Here, a mysterious incoherent metallic (IM) normal state with T-linear resistivity is ubiquitous among strongly correlated superconductors. Recent progress with microscopic models exhibiting IM transport has presented the opportunity for us to study new models that exhibit direct transitions into a superconducting state out of IM states within the framework of connected Sachdev-Ye-Kitaev “quantum dots.” Here, local Sachdev-Ye-Kitaev interactions within a dot produce IM transport in the normal state, while local attractive interactions drive superconductivity. Through explicit calculations, we find two features of superconductivity arising from an IM normal state. First, despite the absence of quasiparticles in the normal state, the superconducting state still exhibits coherent superfluid transport. Second, the nonquasiparticle nature of the IM Green’s functions produces a large enhancement in the ratio of the zero-temperature superconducting gap Δ and transition temperature T SC , 2Δ/T SC , with respect to its BCS value of 3.53.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Conformally soft photons and gravitons

The four-dimensional S-matrix is reconsidered as a correlator on the celestial sphere at null infinity. Asymptotic particle states can be characterized by the point at which they enter or exit the celestial sphere as well as their SL(2, C) Lorentz quantum numbers: namely their conformal scaling dimension and spin h±h¯ instead of the energy and momentum. This characterization precludes the notion of a soft particle whose energy is taken to zero. We propose it should be replaced by the notion of a conformally soft particle with h = 0 or h¯ = 0. For photons we explicitly construct conformally soft SL(2, C) try on the celestial sphere. For gravity the generator of celestial conformal symmetry is constructed from a (2, 0) SL(2, C) primary wavefunction. Interestingly, BMS supertranslations are generated by a spin-one weight (3/2, 1/2) operator, which nevertheless shares holomorphic characteristics of a conformally soft operator. This is because the right hand side of its OPE with a weight (h, h¯) operator Oh,h¯ involves the shifted operator Oh+1/2,h¯+1/2. This OPE relation looks quite unusual from the celestial CFT 2 perspective but is equivalent to the leading soft graviton theorem and may usefully constrain celestial correlators in quantum gravity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

In silico studies of the properties of water hydrating a small protein

Atomistic molecular dynamics simulation of an aqueous solution of the small protein HP-36 has been carried out with explicit solvent at room temperature. Efforts have been made to explore the influence of the protein on the relative packing and ordering of water molecules around its secondary structures, namely, three α-helices. The calculations reveal that the inhomogeneous water ordering and density distributions around the helices are correlated with their relative hydrophobicity. Importantly, we have identified the existence of a narrow relatively dehydrated region containing randomly organized “quasi-free” water molecules beyond the first layer of “bound” waters at the protein surface. These water molecules with relatively weaker binding energies form the transition state separating the “bound” and “free” water molecules at the interface. Further, increased contribution of solid-like caging motions of water molecules around the protein is found to be responsible for reduced fluidity of the hydration layer. Interestingly, we notice that the hydration layer of helix-3 is more fluidic with relatively higher entropy as compared to the hydration layers of the other two helical segments. Such characteristics of helix-3 hydration layer correlate well with the activity of HP-36, as helix-3 contains the active site of the protein.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗