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At least 1,387 records · Page 77

Nonlinear modeling and performance analysis of cracked beam microgyroscopes

Cracks constitute a common structural defect in microelectromechanical systems that may arise during manufacturing, mechanical fatigue, or shock loading. Areas weakened by cracks increase the flexibility of the microstructure. Furthermore, depending on the crack severity, the increased flexibility can cause dramatic changes in the static and dynamic behaviors of electrically actuated MEMS. In this study, a numerical investigation of the depth and location of multiple edge cracks on the performance of beam microgyroscopes is conducted. Applying the Griffith strain energy release theorem for an edge crack, the vibrational characteristics of microgyroscopes with multiple cracks including the static deflection, natural frequencies, and mode shapes are studied analytically. Then, the differential quadrature method is employed to model the nonlinear dynamic behaviors of the cracked gyroscope system. Cracks initiated along the driving or sensing directions of the microgyroscope are found to have differing effects on its nonlinear dynamic response. This numerical study reveals that the onset of severe single cracks or a series of multiple cracks can significantly affect the sensitivity of the microgyroscope to base rotations and therefore leads to a degradation in the performance of the damaged MEMS sensor. This study also shows that a potential design approach for broadband microgyroscope systems manufactured with cracks can be proposed.

42 ENGINEERING↗

Molecular Details of the PH Domain of ACAP1 BAR-PH Protein Binding to PIP-Containing Membrane

ACAP1 proteins were previously reported to specifically bind PIP2-containing cell membranes and form well-structured protein lattices in order to conduct membrane tubulation. We carried out molecular dynamics simulations to characterize orientation of the PH domains with respect to the BAR domains inside the protein dimer. Followed by molecular dynamics simulations, we present a comprehensive orientation analysis of PH domain under different states including unbound and bound with lipids. We have examined two binding pockets on the PH domain and present PMF profiles of the two pockets to account for their preference to PIP2 lipids. Combining orientation analysis and studies of binding pockets, our simulations results reveal valuable molecular basis for protein–lipid interactions of ACAP1 proteins during membrane remodeling process.

Chemistry↗

Results on Double-polarization Asymmetries in Quasielastic Scattering from Polarized 3He

The 3He nucleus has become extremely important in the investigation of the neutron’s spin structure. When polarized, 3He acts as an effective polarized neutron target and hence facilitates our understanding of the neutron’s internal structure. However, to be used in this manner, our understanding of the internal structure of 3He is of extreme importance. As the precision of experiments has improved, the extraction of polarized neutron information from 3He leads to an ever larger share of the systematic uncertainty for these experiments. In these proceedings, I present a precise measurement of beam-target asymmetries in the and reactions. The former process is a uniquely sensitive probe of hadron dynamics in 3He and the structure of the underlying electromagnetic currents. The measurements have been performed around the quasi-elastic peak at Q2 = 0.25 (GeV/c)2 and 0.35 (GeV/c)2 for recoil momenta up to 270 MeV/c. The experimental apparatus, analysis and results were presented together with a comparison to state-of-the art Faddeev calculations.

Sulkosky, Vincent A.↗

Hybrid Vlasov-Maxwell simulations of two-dimensional turbulence in plasmas

Turbulence in plasmas is a very challenging problem since it involves wave-particle interactions, which are responsible for phenomena such as plasma dissipation, acceleration mechanisms, heating, temperature anisotropy, and so on. In this work, a hybrid Vlasov-Maxwell numerical code is employed to study local kinetic processes in a two-dimensional turbulent regime. In the present model, ions are treated as a kinetic species, while electrons are considered as a fluid. As recently reported in [S. Servidio, Phys. Rev. Lett. 108, 045001 (2012)], nearby regions of strong magnetic activity, kinetic effects manifest through a deformation of the ion velocity distribution function that consequently departs from the equilibrium Maxwellian configuration. Here, the structure of turbulence is investigated in detail in phase space, by evaluating the high-order moments of the particle velocity distribution, i.e., temperature, skewness, and kurtosis. This analysis provides quantitative information about the non-Maxwellian character of the system dynamics. This departure from local thermodynamic equilibrium triggers several processes commonly observed in many astrophysical and laboratory plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Blocking C-terminal processing of KRAS4b via a direct covalent attack on the CaaX-box cysteine

RAS is the most frequently mutated oncogene in cancer. RAS proteins show high sequence similarities in their G-domains but are significantly different in their C-terminal hypervariable regions (HVR). These regions interact with the cell membrane via lipid anchors that result from posttranslational modifications (PTM) of cysteine residues. KRAS4b is unique as it has only one cysteine that undergoes PTM, C185. Small molecule covalent modification of C185 would block any form of prenylation and subsequently inhibit attachment of KRAS4b to the cell membrane, blocking its biological activity. We translated this concept to the discovery and development of disulfide tethering screen hits into irreversible covalent modifiers of C185. These compounds inhibited proliferation of KRAS4b-driven mouse embryonic fibroblasts, but not cells driven by N-myristoylated KRAS4b that harbor a C185S mutation and are not dependent on C185 prenylation. Top–down proteomics was used to confirm target engagement in cells. These compounds bind in a pocket formed when the HVR folds back between helix 3 and 4 in the G-domain (HVR-α3-α4). This interaction can happen in the absence of small molecules as predicted by molecular dynamics simulations and is stabilized in the presence of C185 binders as confirmed by small-angle X-ray scattering and solution NMR. NOESY-HSQC, an NMR approach that measures internuclear distances of 6 Å or less, and structure analysis identified the critical residues and interactions that define the HVR-α3-α4 pocket. Further development of compounds that bind to this pocket could be the basis of a new approach to targeting KRAS cancers.

C185↗

Simulations of the surfaces of soda lime aluminoborosilicate glasses exposed to water

Molecular dynamics simulations of 7 compositionally different sodium calcium alumino–borosilicate glasses showed formation of 4 B and 5 Al more consistent with experimental data without compromising the other structural features that match experimental results observed in recent simulations of these glasses. Analysis of the dry surfaces of these glasses show a lack of 4 B in the top 5–6 Å of the surface in comparison to the bulk concentration for all glasses and no 5 Al. Upon exposure to water, the simulations show that the 3 B in the top 5–6 Å of the glasses are preferentially attacked, decreasing the number of B bonds to O originally from the glass, indicating a change in the glass network. Inclusion of all B–O bonds in the top 5–6 Å (i.e., including O from water) shows a decrease in 3 B but an increase in 4 B that is consistent with NEXAFS analysis, which the simulations show are hydroxylated. Furthermore, there is an increase in the concentration of 3 Al in the dry surface in comparison to the bulk, but exposure to water converts almost all of these 3 Al to 4 Al. Hydroxyl concentrations vary from 2.6/nm 2 to 4.1/nm 2 , with SiOH and BOH dominating these surface hydroxyls. Upon exposure to water, network linkages to B are preferentially ruptured. This, and the preferential loss of the nonbridging oxygen sites attached to Na, provide atomistic evidence of the initial stages of removal of B and Na from glass surfaces exposed to water.

36 MATERIALS SCIENCE↗

Habitat‐adapted microbial communities mediate Sphagnum peatmoss resilience to warming

Summary Sphagnum peatmosses are fundamental members of peatland ecosystems, where they contribute to the uptake and long‐term storage of atmospheric carbon. Warming threatens Sphagnum mosses and is known to alter the composition of their associated microbiome. Here, we use a microbiome transfer approach to test if microbiome thermal origin influences host plant thermotolerance. We leveraged an experimental whole‐ecosystem warming study to collect field‐grown Sphagnum , mechanically separate the associated microbiome and then transfer onto germ‐free laboratory Sphagnum for temperature experiments. Host and microbiome dynamics were assessed with growth analysis, Chl a fluorescence imaging, metagenomics, metatranscriptomics and 16S rDNA profiling. Microbiomes originating from warming field conditions imparted enhanced thermotolerance and growth recovery at elevated temperatures. Metagenome and metatranscriptome analyses revealed that warming altered microbial community structure in a manner that induced the plant heat shock response, especially the HSP70 family and jasmonic acid production. The heat shock response was induced even without warming treatment in the laboratory, suggesting that the warm‐microbiome isolated from the field provided the host plant with thermal preconditioning. Our results demonstrate that microbes, which respond rapidly to temperature alterations, can play key roles in host plant growth response to rapidly changing environments.

59 BASIC BIOLOGICAL SCIENCES↗

Feedback-Based, System-Level Properties of Vertebrate-Microbial Interactions

Improved characterization of infectious disease dynamics is required. To that end, three-dimensional (3D) data analysis of feedback-like processes may be considered. To detect infectious disease data patterns, a systems biology (SB) and evolutionary biology (EB) approach was evaluated, which utilizes leukocyte data structures designed to diminish data variability and enhance discrimination. Using data collected from one avian and two mammalian (human and bovine) species infected with viral, parasite, or bacterial agents (both sensitive and resistant to antimicrobials), four data structures were explored: (i) counts or percentages of a single leukocyte type, such as lymphocytes, neutrophils, or macrophages (the classic approach), and three levels of the SB/ EB approach, which assessed (ii) 2D, (iii) 3D, and (iv) multi-dimensional (rotating 3D) host-microbial interactions. In all studies, no classic data structure discriminated disease-positive (D+, or observations in which a microbe was isolated) from disease-negative (D–, or microbial-negative) groups: D+ and D– data distributions overlapped. In contrast, multi-dimensional analysis of indicators designed to possess desirable features, such as a single line of observations, displayed a continuous, circular data structure, whose abrupt inflections facilitated partitioning into subsets statistically significantly different from one another. In all studies, the 3D, SB/EB approach distinguished three (steady, positive, and negative) feedback phases, in which D– data characterized the steady state phase, and D+ data were found in the positive and negative phases. In humans, spatial patterns revealed false-negative observations and three malaria-positive data classes. In both humans and bovines, methicillin-resistant Staphylococcus aureus (MRSA) infections were discriminated from non-MRSA infections. More information can be extracted, from the same data, provided that data are structured, their 3D relationships are considered, and well-conserved (feedback-like) functions are estimated. Patterns emerging from such structures may distinguish well-conserved from recently developed host-microbial interactions. Applications include diagnosis, error detection, and modeling.

59 BASIC BIOLOGICAL SCIENCES↗

Analysis of a massive air ingress accident of the high temperature gas cooled reactor pebble-bed module (HTR-PM) - 18535

The 200 MWe high temperature gas cooled reactor-pebble bed module (HTR-PM) is a commercial demonstration power plant, which is now under construction in China. For the safety analysis of the HTR-PM, air ingress is a kind of severe accidents, which should be carefully taken into consideration in the design and safety review processes. The double-ended guillotine break (DEGB) of the horizontal coaxial gas duct is an extremely hypothetical air ingress accident of the HTR-PM. This kind of accident may cause some adverse consequences, such as the fuel temperature increasing, graphite corrosion, structure strength weakening, radioactivity release increasing and so on. This paper simulated the DEGB of the horizontal coaxial gas duct of the HTR-PM by using the system analysis software TINTE. Under the conservative assumptions of this accident, the thermal dynamic and graphite oxidation analyses are given in this paper. The simulation results show that the maximum fuel temperature would not exceed the design limit value and the weight loss ratio of the matrix graphite and bottom reflector are about 5.5% and 7.5%, respectively, at 150 h after the accident occurrence. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Two-component secular gravitational instability in a protoplanetary disk: A possible mechanism for creating ring-like structures

The instability in protoplanetary disks due to gas-dust friction and self-gravity of gas and dust is investigated using linear analysis. In the case where the dust-to-gas ratio is enhanced and turbulence is weak, the instability grows, even in gravitationally stable disks, on a timescale of order 10{sup 4-5} yr at a radius of order 100 AU. If we ignore the dynamical feedback from dust grains in the gas equation of motion, the instability reduces to the so-called ''secular gravitational instability'', which was investigated previously to be an instability of dust in a fixed background gas flow. In this work, we solve the equations of motion for both gas and dust consistently and find that long-wavelength perturbations are stable, in contrast to the secular gravitational instability in the simplified treatment. This may indicate that we should not neglect small terms in the equation of motion if the growth rate is small. The instability is expected to form ring structures in protoplanetary disks. The width of the ring formed at a radius of 100 AU is a few tens of AU. Therefore, the instability is a candidate for the formation mechanism of observed ring-like structures in disks. Another aspect of the instability is the accumulation of dust grains, and hence the instability may play an important role in the formation of planetesimals, rocky protoplanets, and cores of gas giants located at radii ∼100 AU. If these objects survive the dispersal of the gaseous component of the disk, they may be the origin of debris disks.

79 ASTRONOMY AND ASTROPHYSICS↗

A dynamically bi-orthogonal method for time-dependent stochastic partial differential equations II: Adaptivity and generalizations

This is part II of our paper in which we propose and develop a dynamically bi-orthogonal method (DyBO) to study a class of time-dependent stochastic partial differential equations (SPDEs) whose solutions enjoy a low-dimensional structure. In part I of our paper [9], we derived the DyBO formulation and proposed numerical algorithms based on this formulation. Some important theoretical results regarding consistency and bi-orthogonality preservation were also established in the first part along with a range of numerical examples to illustrate the effectiveness of the DyBO method. In this paper, we focus on the computational complexity analysis and develop an effective adaptivity strategy to add or remove modes dynamically. Our complexity analysis shows that the ratio of computational complexities between the DyBO method and a generalized polynomial chaos method (gPC) is roughly of order O((m/N{sub p}){sup 3}) for a quadratic nonlinear SPDE, where m is the number of mode pairs used in the DyBO method and N{sub p} is the number of elements in the polynomial basis in gPC. The effective dimensions of the stochastic solutions have been found to be small in many applications, so we can expect m is much smaller than N{sub p} and computational savings of our DyBO method against gPC are dramatic. The adaptive strategy plays an essential role for the DyBO method to be effective in solving some challenging problems. Another important contribution of this paper is the generalization of the DyBO formulation for a system of time-dependent SPDEs. Several numerical examples are provided to demonstrate the effectiveness of our method, including the Navier–Stokes equations and the Boussinesq approximation with Brownian forcing.

97 MATHEMATICS AND COMPUTING↗

Exploration of High-Dimensional Scalar Function for Nuclear Reactor Safety Analysis and Visualization

The next generation of methodologies for nuclear reactor Probabilistic Risk Assessment (PRA) explicitly accounts for the time element in modeling the probabilistic system evolution and uses numerical simulation tools to account for possible dependencies between failure events. The Monte-Carlo (MC) and the Dynamic Event Tree (DET) approaches belong to this new class of dynamic PRA methodologies. A challenge of dynamic PRA algorithms is the large amount of data they produce which may be difficult to visualize and analyze in order to extract useful information. We present a software tool that is designed to address these goals. We model a large-scale nuclear simulation dataset as a high-dimensional scalar function defined over a discrete sample of the domain. First, we provide structural analysis of such a function at multiple scales and provide insight into the relationship between the input parameters and the output. Second, we enable exploratory analysis for users, where we help the users to differentiate features from noise through multi-scale analysis on an interactive platform, based on domain knowledge and data characterization. Our analysis is performed by exploiting the topological and geometric properties of the domain, building statistical models based on its topological segmentations and providing interactive visual interfaces to facilitate such explorations. We provide a user’s guide to our software tool by highlighting its analysis and visualization capabilities, along with a use case involving dataset from a nuclear reactor safety simulation.

97 MATHEMATICS AND COMPUTING↗

Exploration of high-dimensional scalar function for nuclear reactor safety analysis and visualization

The next generation of methodologies for nuclear reactor Probabilistic Risk Assessment (PRA) explicitly accounts for the time element in modeling the probabilistic system evolution and uses numerical simulation tools to account for possible dependencies between failure events. The Monte-Carlo (MC) and the Dynamic Event Tree (DET) approaches belong to this new class of dynamic PRA methodologies. A challenge of dynamic PRA algorithms is the large amount of data they produce which may be difficult to visualize and analyze in order to extract useful information. We present a software tool that is designed to address these goals. We model a large-scale nuclear simulation dataset as a high-dimensional scalar function defined over a discrete sample of the domain. First, we provide structural analysis of such a function at multiple scales and provide insight into the relationship between the input parameters and the output. Second, we enable exploratory analysis for users, where we help the users to differentiate features from noise through multi-scale analysis on an interactive platform, based on domain knowledge and data characterization. Our analysis is performed by exploiting the topological and geometric properties of the domain, building statistical models based on its topological segmentations and providing interactive visual interfaces to facilitate such explorations. We provide a user's guide to our software tool by highlighting its analysis and visualization capabilities, along with a use case involving data from a nuclear reactor safety simulation. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Dynamic properties along the neutral line of a delta spot inferred from high-resolution observations

Delta (δ) spots are complex magnetic configurations of sunspots characterized by umbrae of opposite polarity sharing a common penumbra. In order to investigate the fine structure of the region separating the two magnetic polarities of a δ spot, we studied the morphology, the magnetic configuration, and the velocity field in such a region using observations of active region (AR) NOAA 11267 obtained with the CRisp Imaging SpectroPolarimeter (CRISP) at the Swedish Solar Telescope on 2011 August 6. The analysis of CRISP data shows upflows and downflows of ∼ ± 3 km s{sup –1} in proximity of the δ spot polarity inversion line (PIL), and horizontal motions along the PIL of the order of ∼1 km s{sup –1}. The results obtained from the SIR inversion of CRISP data also indicate that the transverse magnetic field in the brighter region separating the two opposite magnetic polarities of the δ spot is tilted about ∼45° with respect to the PIL. Solar Dynamics Observatory/Helioseismic and Magnetic Imager observations confirm the presence of motions of ∼ ± 3 km s{sup –1} in proximity of the PIL, which were observed to last 15 hr. From the data analyzed, we conclude that the steady, persistent, and subsonic motions observed along the δ spot PIL can be interpreted as being due to Evershed flows occurring in the penumbral filaments that show a curved, wrapped configuration. The fluting of the penumbral filaments and their bending, continuously increased by the approaching motion of the negative umbra toward the positive one, give rise to the complex line-of-sight velocity maps that we observed.

79 ASTRONOMY AND ASTROPHYSICS↗

X-ray and molecular dynamics study of the temperature-dependent structure of molten NaF-Zr⁢F 4

The local atomic structure of NaF-Zr⁢F 4 (53–47 mol%) molten system and its evolution with temperature are examined with x-ray scattering measurements which are then used to validate the quality of ab initio and neural network-based molecular dynamics (NNMD) calculations in the temperature range 515–700°⁢C. The machine-learning enhanced NNMD calculations offer improved efficiency while maintaining accuracy at higher distances compared to ab initio calculations. Looking at the evolution of the pair distribution function with increasing temperature, a fundamental change in the liquid structure within the selected temperature range, accompanied by a slight decrease in overall correlation is revealed. NNMD calculations indicate the coexistence of three different fluorozirconate complexes: [Zr⁢F 6 ] 2– , [Zr⁢F 7 ] 3– , and [Zr⁢F 8 ] 4– , with a shift in the dominant coordination state from the 7-coordinated Zr cation toward a 6-coordinated cation with increasing temperature. The study also highlights the metastability of different local coordination structures, with frequent interconversions between the 6- and 7-coordinate states. Analysis of the Zr-F-Zr angular distribution function reveals the presence of both “edge-sharing” and “corner-sharing” fluorozirconate complexes with specific bond angles and distances in accord with previous studies, while the next-nearest-neighbor cation-cation correlations demonstrate a clear preference for unlike cations as nearest-neighbor pairs, emphasizing nonrandom arrangement. Finally, these findings contribute to a comprehensive understanding of the complex local structure of the molten salt, providing insights into temperature-dependent preferences and correlations within the molten system.

36 MATERIALS SCIENCE↗

Nonlinear elasticity and damping govern ultrafast dynamics in click beetles

Many small animals use springs and latches to overcome the mechanical power output limitations of their muscles. Click beetles use springs and latches to bend their bodies at the thoracic hinge and then unbend extremely quickly, resulting in a clicking motion. When unconstrained, this quick clicking motion results in a jump. While the jumping motion has been studied in depth, the physical mechanisms enabling fast unbending have not. Here, we first identify and quantify the phases of the clicking motion: latching, loading, and energy release. We detail the motion kinematics and investigate the governing dynamics (forces) of the energy release. We use high-speed synchrotron X-ray imaging to observe and analyze the motion of the hinge’s internal structures of four Elater abruptus specimens. We show evidence that soft cuticle in the hinge contributes to the spring mechanism through rapid recoil. Using spectral analysis and nonlinear system identification, we determine the equation of motion and model the beetle as a nonlinear single-degree-of-freedom oscillator. Quadratic damping and snap-through buckling are identified to be the dominant damping and elastic forces, respectively, driving the angular position during the energy release phase. The methods used in this study provide experimental and analytical guidelines for the analysis of extreme motion, starting from motion observation to identifying the forces causing the movement. Here, the tools demonstrated here can be applied to other organisms to enhance our understanding of the energy storage and release strategies small animals use to achieve extreme accelerations repeatedly.

59 BASIC BIOLOGICAL SCIENCES↗

The structural organization of N-methyl-2-pyrrolidone + water mixtures: A densitometry, x-ray diffraction, and molecular dynamics study

A combined approach of molecular dynamics simulations, wide angle X-ray scattering experiments, and density measurements was employed to study the structural properties of N-methyl-2-pyrrolidone (NMP) + water mixtures over the whole concentration range. Remarkably, a very good agreement between computed and experimental densities and diffraction patterns was achieved, especially if the effect of the mixture composition on NMP charges is taken into account. Analysis of the intermolecular organization, as revealed by the radial and spatial distribution functions of relevant solvent atoms, nicely explained the density maximum observed experimentally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dromion-like structures and stability analysis in the variable coefficients complex Ginzburg–Landau equation

The study of the complex Ginzburg–Landau equation, which can describe the fiber laser system, is of significance for ultra-fast laser. In this paper, dromion-like structures for the complex Ginzburg–Landau equation are considered due to their abundant nonlinear dynamics. Via the modified Hirota method and simplified assumption, the analytic dromion-like solution is obtained. The partial asymmetry of structure is particularly discussed, which arises from asymmetry of nonlinear and dispersion terms. Furthermore, the stability of dromion-like structures is analyzed. Oscillation structure emerges to exhibit strong interference when the dispersion loss is perturbed. Through the appropriate modulation of modified exponent parameter, the oscillation structure is transformed into two dromion-like structures. It indicates that the dromion-like structure is unstable, and the coherence intensity is affected by the modified exponent parameter. Results in this paper may be useful in accounting for some nonlinear phenomena in fiber laser systems, and understanding the essential role of modified Hirota method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗