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At least 1,117 records · Page 62

Tensor optimized Fermi sphere method for nuclear matter—Power series correlated wave function and a cluster expansion

A new formalism, called “tensor optimized Fermi sphere (TOFS) method”, is developed to treat the nuclear matter using a bare interaction among nucleons. In this method, the correlated nuclear matter wave function is taken to be a power series type, Ψ{sub N}=[∑{sub n=0}{sup N}(1∕n!)F{sup n}]Φ{sub 0} and an exponential type, Ψ{sub ex}=exp(F)Φ{sub 0}, with the uncorrelated Fermi-gas wave function Φ{sub 0}, where the correlation operator F can induce central, spin–isospin, tensor, etc. correlations, and Ψ{sub ex} corresponds to a limiting case of Ψ{sub N} (N→∞). In the TOFS formalism based on Hermitian form, it is shown that the energy per particle in nuclear matter with Ψ{sub ex} can be expressed in terms of a linked-cluster expansion. On the basis of these results, we present the formula of the energy per particle in nuclear matter with Ψ{sub N}. We call the Nth-order TOFS calculation for evaluating the energy with Ψ{sub N}, where the correlation functions are optimally determined in the variation of the energy. The TOFS theory is applied for the study of symmetric nuclear matter using a central NN potential with short-range repulsion. The calculated results are fairly consistent to those of other theories such as the Brueckner–Hartree–Fock approach etc.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Exact bounds for dynamical critical exponents of transverse-field Ising chains with a correlated disorder

Highlights: • Analytic results in disordered quantum systems are obtained. • Correlated disorder changes the universality class of quantum phase transitions. • The lower and upper bounds of the dynamical critical exponent are obtained. This study investigates the dynamical critical exponent of disordered Ising chains under transverse fields to examine the effect of a correlated disorder on quantum phase transitions. The correlated disorder, where the on-site transverse field depends on the nearest-neighbor coupling strengths connecting the site, gives a qualitatively different result from the uncorrelated disorder. In the uncorrelated disorder cases where the transverse field is either homogeneous over sites or random independently of the nearest-neighbor coupling strengths, the dynamical critical exponent is infinite. In contrast, in the presence of the correlated disorder, we analytically show that the dynamical critical exponent is finite. We also show that the dynamical critical exponent depends on the tuning process of the transverse field strengths.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Increased activity of osteocyte autophagy in ovariectomized rats and its correlation with oxidative stress status and bone loss

Highlights: • Examine autophagy level in the proximal tibia of ovariectomized rats. • Investigate whether autophagy level is associated with bone loss. • Investigate whether autophagy level is associated with oxidative stress status. - Abstract: Objectives: The objectives of the present study were to investigate ovariectomy on autophagy level in the bone and to examine whether autophagy level is associated with bone loss and oxidative stress status. Methods: 36 female Sprague–Dawley rats were randomly divided into sham-operated (Sham), and ovariectomized (OVX) rats treated either with vehicle or 17-β-estradiol. At the end of the six-week treatment, bone mineral density (BMD) and bone micro-architecture in proximal tibias were assessed by micro-CT. Serum 17β-estradiol (E2) level were measured. Total antioxidant capacity (T-AOC), superoxide dismutase (SOD) activity, catalase (CAT) activity in proximal tibia was also determined. The osteocyte autophagy in proximal tibias was detected respectively by Transmission Electron Microscopy (TEM), immunofluorescent histochemistry (IH), realtime-PCR and Western blot. In addition, the spearman correlation between bone mass, oxidative stress status, serum E2 and autophagy were analyzed. Results: Ovariectomy increased Atg5, LC3, and Beclin1 mRNA and proteins expressions while decreased p62 expression. Ovariectomy also declined the activities of T-AOC, CAT, and SOD. Treatment with E2 prevented the reduction in bone mass as well as restored the autophagy level. Furthermore, LC3-II expression was inversely correlated with T-AOC, CAT, and SOD activities. A significant inverse correlation between LC3-II expression and BV/TV, Tb.N, BMD in proximal tibias was found. Conclusions: Ovariectomy induced oxidative stress, autophagy and bone loss. Autophagy of osteocyte was inversely correlated with oxidative stress status and bone loss.

60 APPLIED LIFE SCIENCES↗

General order parameter based correlation analysis of protein backbone motions between experimental NMR relaxation measurements and molecular dynamics simulations

Internal backbone dynamic motions are essential for different protein functions and occur on a wide range of time scales, from femtoseconds to seconds. Molecular dynamic (MD) simulations and nuclear magnetic resonance (NMR) spin relaxation measurements are valuable tools to gain access to fast (nanosecond) internal motions. However, there exist few reports on correlation analysis between MD and NMR relaxation data. Here, backbone relaxation measurements of {sup 15}N-labeled SH3 (Src homology 3) domain proteins in aqueous buffer were used to generate general order parameters (S{sup 2}) using a model-free approach. Simultaneously, 80 ns MD simulations of SH3 domain proteins in a defined hydrated box at neutral pH were conducted and the general order parameters (S{sup 2}) were derived from the MD trajectory. Correlation analysis using the Gromos force field indicated that S{sup 2} values from NMR relaxation measurements and MD simulations were significantly different. MD simulations were performed on models with different charge states for three histidine residues, and with different water models, which were SPC (simple point charge) water model and SPC/E (extended simple point charge) water model. S{sup 2} parameters from MD simulations with charges for all three histidines and with the SPC/E water model correlated well with S{sup 2} calculated from the experimental NMR relaxation measurements, in a site-specific manner. - Highlights: • Correlation analysis between NMR relaxation measurements and MD simulations. • General order parameter (S{sup 2}) as common reference between the two methods. • Different protein dynamics with different Histidine charge states in neutral pH. • Different protein dynamics with different water models.

60 APPLIED LIFE SCIENCES↗

Micropillar displacements by cell traction forces are mechanically correlated with nuclear dynamics

Cells sense physical cues at the level of focal adhesions and transduce them to the nucleus by biochemical and mechanical pathways. While the molecular intermediates in the mechanical links have been well studied, their dynamic coupling is poorly understood. In this study, fibroblast cells were adhered to micropillar arrays to probe correlations in the physical coupling between focal adhesions and nucleus. For this, we used novel imaging setup to simultaneously visualize micropillar deflections and EGFP labeled chromatin structure at high spatial and temporal resolution. We observed that micropillar deflections, depending on their relative positions, were positively or negatively correlated to nuclear and heterochromatin movements. Our results measuring the time scales between micropillar deflections and nucleus centroid displacement are suggestive of a strong elastic coupling that mediates differential force transmission to the nucleus. - Highlights: • Correlation between focal adhesions and nucleus studied using novel imaging setup. • Micropillar and nuclear displacements were measured at high resolution. • Correlation timescales show strong elastic coupling between cell edge and nucleus.

60 APPLIED LIFE SCIENCES↗

Activation of JNK signaling in osteoblasts is inversely correlated with collagen synthesis in age-related osteoporosis

Highlights: • Transcription of five collagen members, e.g., COL12A1 and COL8A2, reduced significantly in the osteoblasts of old donors. • Oxidoreductase activity and kinase activity were inversely correlated with collagen expression in aged osteoblasts. • Gene expression signature of JNK signaling was enriched in aged osteoblasts. • MAP3K4 and MAP4K2 were upregulated and inversely correlated with collagen expression in aged osteoblasts. The age-related reduction in the function of osteoblasts plays a central role in the pathogenesis of bone loss and osteoporosis. Collagen synthesis is a primary function of differentiated osteoblasts, however, the mechanisms for age-related changes in collagen synthesis in human osteoblasts remain elusive. We use Gene Ontology (GO) analysis and Gene Set Enrichment Analysis (GSEA) analysis to exploit the transcriptional profiles of osteoblasts from young and old donors. A panel of collagen members was downregulated in aged osteoblasts, including COL12A1, COL5A1, COL5A3, COL8A1 and COL8A2. Co-expression analysis followed by GO analysis revealed that oxidoreductase activity and kinase activity were inversely correlated with collagen synthesis in osteoblasts. GESA analysis further showed that JNK signaling was upregulated in aged osteoblasts. Consistently, MAP3K4 and MAP4K2, upstream of JNK, were also increased in aged osteoblasts. Moreover, expression levels of MAP3K4 were significantly inversely correlated with levels of the collagen genes. Those transcriptomic results were further verified by examining clinical specimens of osteoporosis by immunohistochemistry. These results provide transcriptomic evidence that deregulated JNK signaling may impair collagen synthesis in osteoblasts and imply a therapeutic value of JNK inhibitors for treating osteoporosis and preventing skeletal aging by counteracting the age-related reduction in the function of osteoblasts.

60 APPLIED LIFE SCIENCES↗

Correlated particle transport enables biological free energy transduction

Studies of biological transport frequently neglect the explicit statistical correlations among particle site occupancies (i.e., they use a mean-field approximation). Neglecting correlations sometimes captures biological function, even for out-of-equilibrium and interacting systems. Here, we show that neglecting correlations fails to describe free energy transduction, mistakenly predicting an abundance of slippage and energy dissipation, even for networks that are near reversible and lack interactions among particle sites. Interestingly, linear charge transport chains are well described without including correlations, even for networks that are driven and include site-site interactions typical of biological electron transfer chains. We examine three specific bioenergetic networks: a linear electron transfer chain (as found in bacterial nanowires), a near-reversible electron bifurcation network (as in complex III of respiration and other recently discovered structures), and a redox-coupled proton pump (as in complex IV of respiration).

bacterial nanowires↗

A fast multi-fidelity method with uncertainty quantification for complex data correlations: Application to vortex-induced vibrations of marine risers

Here we develop a fast multi-fidelity modeling method for very complex correlations between high- and low-fidelity data by working in modal space to extract the proper correlation function. We apply this method to infer the amplitude of motion of a flexible marine riser in cross-flow, subject to vortex-induced vibrations (VIV). VIV are driven by an absolute instability in the flow, which imposes a frequency (Strouhal) law that requires a matching with the impedance of the structure; this matching is easily achieved because of the rapid parametric variation of the added mass force. As a result, the wavenumber of the riser spatial response is within narrow bands of uncertainty. Hence, an error in wavenumber prediction can cause significant phase-related errors in the shape of the amplitude of response along the riser, rendering correlation between low- and high-fidelity data very complex. Working in modal space as outlined herein, dense data from low-fidelity data, provided by the semi-empirical computer code VIVA, can correlate in modal space with few high-fidelity data, obtained from experiments or fully-resolved CFD simulations, to correct both phase and amplitude and provide predictions that agree very well overall with the correct shape of the amplitude response. We also quantify the uncertainty in the prediction using Bayesian modeling and exploit this uncertainty to formulate an active learning strategy for the best possible location of the sensors providing the high fidelity measurements.

42 ENGINEERING↗

Interpretable, extensible linear and symbolic regression models for charge density prediction using a hierarchy of many-body correlation descriptors

Here, density functional theory (DFT) is routinely used to make electronic structure predictions for high-throughput screening of materials and molecules for technologically relevant areas, like the identification of better catalysts, electronic materials, and drug discovery. However, the DFT formalism is limited by (a) its poor (quadratic-to-quartic) scaling, and (b) the need to perform repeated eigenvalue computations of the electronic Hamiltonian as part of its self-consistent field (SCF) iteration procedure to obtain the converged ground state electron density, ρ (r). Approaches that directly predict ρ (r) of a structure with high accuracy can accelerate conventional SCF calculations and can also be used in linearly scaling methods such as orbital-free DFT. To this end, we present a procedure to predict the ground state electron density of molecular and periodic three-dimensional systems directly from the atomic structure with a particular emphasis on physical interpretability. In our framework, ρ (r) is modeled using many-body correlation descriptors that accurately capture the effects of local atomic arrangements in the neighborhood of a grid point. Our use of a linear regression scheme to fit to charge density data enables transparent analysis of the relative contributions of various types of local atomic correlations. By systematically including increasingly complex correlations, our model is shown to accurately predict ρ (r) for a variety of chemically and electronically diverse systems — amorphous Ge, Al(001) slab, crystalline Ga 2 O 3 , molecular benzene, and polyethylene. We then demonstrate a symbolic regression-based protocol to construct easily computable, interpretable features from lower-order correlations that significantly improves our electron density predictions with effectively no increase in the computational cost.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Microbial source tracking markers associated with domestic rainwater harvesting systems: Correlation to indicator organisms

Highlights: • Microbial source tracking markers are present in harvested rainwater. • HF183, Lachnospiraceae, B. adolescentis and adenovirus correlate with indicators. • HF183, adenovirus and Lachnospiraceae co-occurred with indicator organisms. • These MST markers may be incorporated in a toolbox to supplement indicator analysis. Domestic rainwater harvesting (tank water) systems were screened for the presence of a panel of microbial source tracking (MST) markers and traditional indicator organisms. The indicator organisms were enumerated utilizing traditional culture-based methods, while the MST markers were quantified by quantitative PCR (qPCR). The indicators Escherichia coli (E. coli) and enterococci were also quantified using qPCR. Correlations and concurrence between these parameters were then investigated to determine which markers could be utilized to supplement traditional indicator analysis. Quantitative PCR analysis indicated that Bacteroides HF183, adenovirus, Lachnospiraceae and E. coli were detected and quantifiable in 100% of the tank water samples collected throughout the sampling period, while human mitochondrial DNA (mtDNA) was quantifiable in 90% of the tank water samples and Bifidobacterium adolescentis (B. adolescentis) and enterococci were quantifiable in 67% of the tank water samples, respectively. Significant positive correlations were recorded for Lachnospiraceae versus heterotrophic bacteria (p = 0.000), adenovirus versus E. coli (culturing) (p = 0.000) and heterotrophic bacteria (p = 0.024), the HF183 marker versus E. coli (qPCR) (p = 0.024) and B. adolescentis versus fecal coliforms (p = 0.037). In addition, 100% concurrence was observed for the HF183 marker, adenovirus and Lachnospiraceae versus E. coli (qPCR), enterococci (qPCR) and heterotrophic bacteria, amongst others. Based on the correlations and the concurrence analysis, the HF183 marker, Lachnospiraceae and adenovirus may be utilized to supplement indicator organism analysis for the monitoring of harvested rainwater quality.

54 ENVIRONMENTAL SCIENCES↗

Flow boiling transient critical heat flux tests with stainless steel and FeCrAl: Transient correlation implementation, model calibration, and sensitivity analysis

In this study, steady-state and transient internal-flow critical heat flux (CHF) experiments were carried out under two flow conditions, at atmospheric pressure, on 316 stainless steel (316-SS) and iron-chromium-aluminum (FeCrAl) tubes. Slow power transients at a low mass flow (300 kg/m 2 - s) with very low subcooling (X e =-0.0054) generated premature CHFs, which were prevented by faster power transients and high mass flow (1000 kg/m 2 - s). The measured transient CHFs increased linearly with increasing power transients, compared with the steady-state CHF. Yet, the wall superheat at the CHFs decreased with faster power transients. Transient CHF correlations highlighting heterogeneous spontaneous nucleation were calibrated to the measured CHFs and compared with other existing correlations. Transient CHF multipliers were acquired from pool and flow boiling empirical CHF correlations that were generated. The multipliers were applied to the RELAP5-3D nuclear system code to analyze the discrepancies between the measured data and the predicted CHF and post-CHF behavior, which improved peak cladding temperature predictions by 24.6%. A variance-based global sensitivity study perturbing the experimental uncertainties and cladding material thermal properties showed the diminishing influence of flow boiling heat transfer with increasing power transients, highlighting the significance of the volumetric heat capacity for the cladding integrity during transients. Transient CHF correlations were applied to the most limiting design basis accident: a hot-zero-power reactivity-initiated accident on a generic pressurized water reactor RELAP5-3D model.

36 MATERIALS SCIENCE↗

Literature Survey and a Universal Evaporation Correlation for Plate type Heat Exchangers

Plate heat exchangers are widely used in the industry. Being compact in nature, they are good candidates to be used as evaporators with reduced charge. Here, a review of the existing evaporation heat transfer coefficient data for plate heat exchangers has been carried out. The literature survey also includes compilation of available Nusselt number correlations. In this work, an attempt has been made to develop a universal Nusselt number correlation that can be used to predict the heat transfer coefficient during evaporation of several key refrigerants using various plate geometries. The predicted values of Nusselt number using proposed correlation were found to be in good agreement with the experimental data of ammonia (R-717), R-134a, R-410A and few relatively new refrigerants. The proposed correlation is valid for 313 < Re eq < 12,700, 0.000136 < Bo eq < 0.0019 and is shown to predict the actual data within ±30% error. The predicted heat transfer coefficient was also found to be in good agreement with results from the major plate exchanger manufacturers.

42 ENGINEERING↗

Variations in annual water-energy balance and their correlations with vegetation and soil moisture dynamics: A case study in the Wei River Basin, China

It is of importance to investigate watershed water-energy balance variations and to explore their correlations with vegetation and soil moisture dynamics, which helps better understand the interplays between underlying surface dynamics and the terrestrial water cycle. The heuristic segmentation method was adopted to identify change points in the parameter to series in Fu's equation belonging to the Budyko framework in the Wei River Basin (WRB) and its sub-basins aiming to examine the validity of stationary assumptions. Additionally, the cross wavelet analysis was applied to explore the correlations between vegetation and soil moisture dynamics and to variations. Results indicated that (1) the omega variations in the WRB are significant, with some change points identified except for the sub-basin above Zhangjiashan, implying that the stationarity of omega series in the WRB is invalid except for the sub-basin above Zhangjiashan; (2) the correlations between soil moisture series and to series are weaker than those between Normalized Difference Vegetation Index (NDVI) series and omega series; (3) vegetation dynamics show significantly negative correlations with omega variations in 1983-2003 with a 4-8 year signal in the whole WRB, and both vegetation and soil moisture dynamics exert strong impacts on the parameter omega changes. This study helps understanding the interactions between underlying land surface dynamics and watershed water-energy balance. (C) 2017 Elsevier B.V. All rights reserved.

54 ENVIRONMENTAL SCIENCES↗

Metallic support films reduce optical heating in cryogenic correlative light and electron tomography

Super-resolved cryogenic correlative light and electron tomography is an emerging method that provides both the single-molecule sensitivity and specificity of fluorescence imaging, and the molecular scale resolution and detailed cellular context of tomography, all in vitrified cells preserved in their native hydrated state. Technical hurdles that limit these correlative experiments need to be overcome for the full potential of this approach to be realized. Chief among these is sample heating due to optical excitation which leads to devitrification, a phase transition from amorphous to crystalline ice. Here, in this work, we show that much of this heating is due to the material properties of the support film of the electron microscopy grid, specifically the absorptivity and thermal conductivity. We demonstrate through experiment and simulation that the properties of the standard holey carbon electron microscopy grid lead to substantial heating under optical excitation. In order to avoid devitrification, optical excitation intensities must be kept orders of magnitude lower than the intensities commonly employed in room temperature super-resolution experiments. We further show that the use of metallic films, either holey gold grids, or custom made holey silver grids, alleviate much of this heating. For example, the holey silver grids permit 20× the optical intensities used on the standard holey carbon grids. Super-resolution correlative experiments conducted on holey silver grids under these increased optical excitation intensities have a corresponding increase in the rate of single-molecule fluorescence localizations. This results in an increased density of localizations and improved correlative imaging without deleterious effects from sample heating.

59 BASIC BIOLOGICAL SCIENCES↗

Correlation between corrosion resistance, anodic hydrogen evolution and microhardness in friction stir weldment of AA2198 alloy

Highlights: • There is a relationship between hardness, corrosion and H{sub 2} evolution in AA2198-T851 alloy friction stir weldment • Variation in the population density of T1 particles is the correlating factor for the relationship • The parent material is the region that is most susceptible to corrosion. • The weld zones of AA2198-T851 alloy friction stir weldment exhibit different forms of corrosion. - Abstract: Correlation between corrosion resistance, anodic hydrogen evolution and microhardness in the friction stir weldment of AA2198-T851 alloy has been investigated. Different microscopy techniques, scanning vibrating electrode technique (SVET) and potentiodynamic polarization tests were employed in the investigation. Unlike other 3rd generation Al-Cu-Li alloys where the regions that are most susceptible to corrosion are always within the weld region, the results reveal that the parent material is the most susceptible in this case. There is a direct correlation between corrosion resistance, anodic hydrogen evolution and microhardness in the weldment, and the T{sub 1} phase is associated with the direct correlation.

36 MATERIALS SCIENCE↗

Random Sampling of Correlated Parameters – a Consistent Solution for Unfavourable Conditions

Two methods for random sampling according to a multivariate lognormal distribution – the correlated sampling method and the method of transformation of correlation coefficients – are briefly presented. The methods are mathematically exact and enable consistent sampling of correlated inherently positive parameters with given information on the first two distribution moments. Furthermore, a weighted sampling method to accelerate the convergence of parameters with extremely large relative uncertainties is described. However, the method is efficient only for a limited number of correlated parameters.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

On the equivalence of the RTI and SVM approaches to time correlated analysis

Recently two papers on how to perform passive neutron auto-correlation analysis on time gated histograms formed from pulse train data, generically called time correlation analysis (TCA), have appeared in this journal [1,2]. For those of us working in international nuclear safeguards these treatments are of particular interest because passive neutron multiplicity counting is a widely deployed technique for the quantification of plutonium. The purpose of this letter is to show that the skewness-variance-mean (SVM) approach developed in [1] is equivalent in terms of assay capability to the random trigger interval (RTI) analysis laid out in [2]. Mathematically we could also use other numerical ways to extract the time correlated information from the histogram data including for example what we might call the mean, mean square, and mean cube approach. The important feature however, from the perspective of real world applications, is that the correlated information extracted is the same, and subsequently gets interpreted in the same way based on the same underlying physics model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Estimating the Effective System Dead Time Parameter for Correlated Neutron Counting

We present that neutron time correlation analysis is one of the main technical nuclear safeguards techniques used to verify declarations of, or to independently assay, special nuclear materials. Quantitative information is generally extracted from the neutron-event pulse train, collected from moderated assemblies of 3 He proportional counters, in the form of correlated count rates that are derived from event-triggered coincidence gates. These count rates, most commonly referred to as singles, doubles and triples rates etc., when extracted using shift-register autocorrelation logic, are related to the reduced factorial moments of the time correlated clusters of neutrons emerging from the measurement items. Correcting these various rates for dead time losses has received considerable attention recently. The dead time losses for the higher moments in particular, and especially for large mass (high rate and highly multiplying) items, can be significant. Consequently, even in thoughtfully designed systems, accurate dead time treatments are needed if biased mass determinations are to be avoided. In support of this effort, in this paper we discuss a new approach to experimentally estimate the effective system dead time of neutron coincidence counting systems. It involves counting a random neutron source (e.g. AmLi is a good approximation to a source without correlated emission) and relating the second and higher moments of the neutron number distribution recorded in random triggered interrogation coincidence gates to the effective value of dead time parameter. We develop the theoretical basis of the method and apply it to the Oak Ridge Large Volume Active Well Coincidence Counter using sealed AmLi radionuclide neutron sources and standard multiplicity shift register electronics. The method is simple to apply compared to the predominant present approach which involves using a set of 252 Cf sources of wide emission rate, it gives excellent precision in a conveniently short time, and it yields consistent results as a function of the order of the moment used to extract the dead time parameter. In addition, this latter observation is reassuring in that it suggests the assumptions underpinning the theoretical analysis are fit for practical application purposes. However, we found that the effective dead time parameter obtained is not constant, as might be expected for a parameter that in the dead time model is characteristic of the detector system, but rather, varies systematically with gate width.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗