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At least 523 records · Page 29

A simulation of the collapse and fragmentation of cooling molecular clouds

The application of the Smoothed Particle Hydrodynamics method to the fragmentation of rotating cloud and disk systems is described, allowing for molecular cooling due to H2 and CO. A novel approach to solving Poisson's equation for disklike structures which exploits the multigrid algorithm is also described. Numerical studies are presented which investigate the evolution of both rotating clouds and Maclaurin disks, in each case with both an isothermal equation of state and with molecular cooling. The results establish the influence of molecular cooling on the fragmentation of molecular clouds. The isothermal sequences, if they fragment at all, do so into far fewer lumps than the cooling sequences. This is not due to a cooling instability as such, but rather to the reduced thermal support. One of the sequences shows a remarkable similarity to the W49A star-forming region.

Monaghan, Joe J.↗

Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins

Prenylated indole alkaloids featuring spirooxindole rings possess a 3 R or 3 S carbon stereocenter, which determines the bioactivities of these compounds. Despite the stereoselective advantages of spirooxindole biosynthesis compared with those of organic synthesis, the biocatalytic mechanism for controlling the 3 R or 3 S -spirooxindole formation has been elusive. Here, we report an oxygenase/semipinacolase CtdE that specifies the 3 S -spirooxindole construction in the biosynthesis of 21 R -citrinadin A. High-resolution X-ray crystal structures of CtdE with the substrate and cofactor, together with site-directed mutagenesis and computational studies, illustrate the catalytic mechanisms for the possible β-face epoxidation followed by a regioselective collapse of the epoxide intermediate, which triggers semipinacol rearrangement to form the 3 S -spirooxindole. Comparing CtdE with PhqK, which catalyzes the formation of the 3 R -spirooxindole, we reveal an evolutionary branch of CtdE in specific 3 S spirocyclization. Our study provides deeper insights into the stereoselective catalytic machinery, which is important for the biocatalysis design to synthesize spirooxindole pharmaceuticals.

59 BASIC BIOLOGICAL SCIENCES↗

cjohnson-LANL/GRL_Kilauea

The python routines are outlined in detail to perform the methods and results in the manuscript under review in the journal Geophysical Research Letters titled “Seismic features predict ground motions during repeating caldera collapse sequence” with LA-UR-23-33345. All routines are written in open source python and were applied to publicly available data sets. The codes formats the data into the appropriate structure required to train a boosted tree regression model. Other codes produce figure results.

Johnson, Christopher W↗

Stability of localized plasma model in two and three dimensions

Stability against catastrophic radial collapse is demonstrated for initially well-behaved, localized solutions in a class of two- and three-dimensional wave equations characterized by saturating nonlinearities, which model various electrostatic and electromagnetic 'caviton' structures in an asymptotically uniform plasma. This result contrasts sharply with mathematical predictions of equations with low-order nonlinearities. Discrete classes of possible quasistationary modes exhibit features comparable to atomic wave functions and differ qualitatively from one-dimensional structures.

Wilcox, J. Z.↗

From Bridges and Rockets, Lessons for Software Systems

Although differences exist between building software systems and building physical structures such as bridges and rockets, enough similarities exist that software engineers can learn lessons from failures in traditional engineering disciplines. This paper draws lessons from two well-known failures the collapse of the Tacoma Narrows Bridge in 1940 and the destruction of the space shuttle Challenger in 1986 and applies these lessons to software system development. The following specific applications are made: (1) the verification and validation of a software system should not be based on a single method, or a single style of methods; (2) the tendency to embrace the latest fad should be overcome; and (3) the introduction of software control into safety-critical systems should be done cautiously.

Holloway, C. Michael↗

Alignment switching in 3D-printed smectic liquid crystal elastomers

Extrusion-based additive manufacturing has emerged as a powerful platform for designing shape-morphing materials through controlled orientation. However, existing approaches primarily rely on a single mode of flow-induced alignment, limiting orientation programmability. Herein, we present a direct-ink-writing approach for smectic liquid crystal elastics that exploits two distinct alignment modes within a single ink. The smectic ink exhibits shear- and temperature-dependent orientation switching, enabling molecular alignment either perpendicular or parallel to the print direction. Combined rheological, X-ray, and molecular dynamics analyses reveal that this alignment inversion arises from the preservation or collapse of smectic layers under flow. This reversible switching encodes both contractile and elongational actuation within individual filaments, greatly expanding the design freedom of printed liquid crystal elastomers. We demonstrate 2D and 3D structures with diverse programmed shape transformations, highlighting the potential of this platform for adaptive soft actuators and architected functional materials.

Lee, Jin Hyeong [Pusan National University, Busan,↗

Socioeconomic Effects of Pension Spending: Evidence from Spain

The purpose of this study is to provide broader understanding of the significant role that the pension system has in the Spanish economy by estimating the sectoral production, employment and income sustained by pensioners' consumption. Based on input-output tables by the World Input-Output Database and consumption data from the Household Budget Survey by the Spanish Statistical Office, a demoeconomic model is applied to quantify the direct impacts, indirect impacts from interindustry links and induced impacts from income-consumption connections over a nine-year period (2006–2014). Then, the factors driving the evolution of total output, employment and value added during such period have been examined by using structural decomposition analysis. The growing participation of consumption by pensioner households in final demand had proven crucial during the 2008 crisis to alleviate the negative trend in production and employment derived from the collapse in consumption suffered by the rest of households. Determining the underlying factors driving changes in both employment and income during the 2008 crisis can be of interest in political decision-making on the sustainability of the Spanish pension system. The results of estimating both the employment and income supported by pensioners' consumption reveal the significant stabilizing effect of the public spending on pensions, particularly during the 2008 crisis. The current Spanish approach of attaining the pension system sustainability by merely reducing social protection costs ignores the adverse consequences of a lower pensioners' demand. This paper addresses an alternative view in which pension spending is not considered a burden on economic growth but rather a means of improving the level of production and employment.

employment↗

The computer in shell stability analysis

Some examples in which the high-speed computer has been used to improve the static stability analysis capability for general shells are examined. The fundamental concepts of static stability are reviewed with emphasis on the differences between linear bifurcation buckling and nonlinear collapse. The analysis is limited to the stability of conservative systems. Three examples are considered. The problem of cylinders subjected to bending loads is used as an example to illustrate that a simple structure can have a sufficiently complicated nonlinear behavior to require a computer analysis for accurate results. An analysis of the problems involved in the modeling of stiffening elements in plate and shell structures illustrates the necessity that the analyst recognizes all important deformation modes. The stability analysis of the Skylab structure indicates the size of problems that can be solved with current state-of-the-art capability.

Almroth, B. O.↗

Optimization of composite box-beam structures including effects of subcomponent interactions

Minimum mass designs are obtained for a simple box beam structure subject to bending, torque and combined bending/torque load cases. These designs are obtained subject to point strain and linear buckling constraints. The present work differs from previous efforts in that special attention is payed to including the effects of subcomponent panel interaction in the optimal design process. Two different approaches are used to impose the buckling constraints. When the global approach is used, buckling constraints are imposed on the global structure via a linear eigenvalue analysis. This approach allows the subcomponent panels to interact in a realistic manner. The results obtained using this approach are compared to results obtained using a traditional, less expensive approach, called the local approach. When the local approach is used, in-plane loads are extracted from the global model and used to impose buckling constraints on each subcomponent panel individually. In the global cases, it is found that there can be significant interaction between skin, spar, and rib design variables. This coupling is weak or nonexistent in the local designs. It is determined that weight savings of up to 7% may be obtained by using the global approach instead of the local approach to design these structures. Several of the designs obtained using the linear buckling analysis are subjected to a geometrically nonlinear analysis. For the designs which were subjected to bending loads, the innermost rib panel begins to collapse at less than half the intended design load and in a mode different from that predicted by linear analysis. The discrepancy between the predicted linear and nonlinear responses is attributed to the effects of the nonlinear rib crushing load, and the parameter which controls this rib collapse failure mode is shown to be the rib thickness. The rib collapse failure mode may be avoided by increasing the rib thickness above the value obtained from the (linear analysis based) optimizer. It is concluded that it would be necessary to include geometric nonlinearities in the design optimization process if the true optimum in this case were to be found.

Ragon, Scott A.↗

Expandable systems for space

Systems for insulating a space vehicle or space borne container from an external environment as well as cryogens from heat sources. Such systems also protect the vehicle from the high dynamic pressures, the high heat loads encountered in atmospheric flight, and provide storage capability that strongly limits, or effectively eliminates, cryogenic boil-off losses once in space. Such systems include an expandable structure having a plurality of contiguously adjacent expandable layers. The layers are connected by a plurality of tension connectors between successive layers. For launch and flight the layers can be restrained in a collapsed position. Whereupon exiting a free stream environment, the layers are expanded where they can lock into place or otherwise remain in an expanded state. The expansion creates separation between the layers with minimal conduction paths providing near theoretically perfect multi-layer insulation and extremely effective debris protection.

de Jong, Maxim↗

Position-dependent Voronoi probability distribution functions for matter and halos

Here, we measure the Voronoi density probability distribution function (PDF) for both dark matter and halos in N-body simulations. For the dark matter, Voronoi densities represent the matter density field smoothed on a uniform mass scale, which approximates the Lagrangian density field. For halos, the Voronoi densities contain information about the local environment of each halo. We measure the halo virial masses, the total amount of dark matter within each halo Voronoi cell, and the halo Voronoi cell volumes, and we show how halo abundances depend on these three quantities. We then study the position-dependent Voronoi density PDF, measured within finite subregions of the Universe, using separate universe simulations. We demonstrate that the spatial variation of the position-dependent PDF is due to large-scale density fluctuations, indicating that the position-dependent PDF is a biased tracer of large-scale structure. We measure this bias for the dark matter, and interpret it as the bias of regions of the Lagrangian density field that are selected based on density. For the halos, this bias can be interpreted as a form of assembly bias. We present the mapping from late-time to early-time Voronoi density for each simulation dark matter particle, which is highly stochastic. We compare the median of this stochastic map with spherical collapse calculations and discuss challenges involved in modeling the evolution of the density field on these scales.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Stacked-disc structure for fluid filter or valve silencer

A stacked-disc structure is comprised of a stack of annular discs (13) scalloped along the outer edge to provide lobes (13a) and etched on one side to provide lands (13a). A web (13d) is retained in the lobes to strengthen the discs so that they will not collapse due to high fluid pressure. The stack of discs is retained by a housing (10) having a fluted interior wall to retain the ends of the lobes. End plates (11 and 12) secure the stack of discs with a spacer (14) at one end having lands (14a) on lobes which match the lobes of the stacked discs to allow fluid to flow into, or out of, the spaces between the lobes of the stacked discs. The spaces between the lands on the etched discs provide passages for fluid flow into or out of the hollow core of the stack. The height of the lands (i.e., depth of the etch) determines the size of the smallest particle that will be permitted to flow through. The stacked-disc structure may be connected to the inlet of a valve, or be incorporated into the valve housing on the inlet side of the valve seat to assure substantially constant fluid velocity, and thereby reduce valve noise when the valve is operated.

Hagler, Jr., Ray↗

Conformational Isomerization of Imide Anions Governs Solvation and Transport in Water-in-Salt Electrolytes

The behavior of highly concentrated electrolytes departs radically from the dilute-solution theory, yet the molecular origin of this transformation remains unresolved. Here, we identify the conformational isomerization of molecular ions as a decisive, previously unrecognized control parameter governing structure and transport in crowded aqueous electrolytes. Across a series of fluorosulfonimide anions, we show that increasing concentration drives a collective shift from extended transoid to compact cisoid conformers, revealed by small-angle X-ray scattering, vibrational spectroscopy, pulsed-field gradient NMR, and molecular dynamics simulations. This conformational transition triggers a collapse of the hydrogen-bonded water network and the emergence of densely packed ionic domains with confined water, producing a qualitative change in Li+ transport from solvent-mediated diffusion to network-confined hopping. Anion size and asymmetry systematically tune the onset of this transition, demonstrating that molecular geometry dictates mesoscale organization and dynamics in the ion-rich regime. Our results establish ion conformation, not merely composition or coordination, as a fundamental thermodynamic variable in concentrated solutions, providing a chemical framework that unifies solvation structure and transport in water-in-salt electrolytes and suggesting new principles for designing dense ionic media.

Nguyen, Huong TD↗

Numerical study of the small scale structures in Boussinesq convection

Two-dimensional Boussinesq convection is studied numerically using two different methods: a filtered pseudospectral method and a high order accurate Essentially Nonoscillatory (ENO) scheme. The issue whether finite time singularity occurs for initially smooth flows is investigated. The numerical results suggest that the collapse of the bubble cap is unlikely to occur in resolved calculations. The strain rate corresponding to the intensification of the density gradient across the front saturates at the bubble cap. We also found that the cascade of energy to small scales is dominated by the formulation of thin and sharp fronts across which density jumps.

Weinan, E.↗

Using a Genetic Algorithm to Model Broadband Regional Waveforms for Crustal Structure in the Western United States

In this study, we analyze regional seismograms to obtain the crustal structure in the eastern Great Basin and western Colorado plateau. Adopting a for- ward-modeling approach, we develop a genetic algorithm (GA) based parameter search technique to constrain the one-dimensional crustal structure in these regions. The data are broadband three-component seismograms recorded at the 1994-95 IRIS PASSCAL Colorado Plateau to Great Basin experiment (CPGB) stations and supplemented by data from U.S. National Seismic Network (USNSN) stations in Utah and Nevada. We use the southwestern Wyoming mine collapse event (M(sub b) = 5.2) that occurred on 3 February 1995 as the seismic source. We model the regional seismograms using a four-layer crustal model with constant layer parameters. Timing of teleseismic receiver functions at CPGB stations are added as an additional constraint in the modeling. GA allows us to efficiently search the model space. A carefully chosen fitness function and a windowing scheme are added to the algorithm to prevent search stagnation. The technique is tested with synthetic data, both with and without random Gaussian noise added to it. Several separate model searches are carried out to estimate the variability of the model parameters. The average Colorado plateau crustal structure is characterized by a 40-km-thick crust with velocity increases at depths of about 10 and 25 km and a fast lower crust while the Great Basin has approximately 35- km-thick crust and a 2.9-km-thick sedimentary layer.

Bhattacharyya, Joydeep↗

High-Field Magnetoelectric and Spin-Phonon Coupling in Multiferroic (NH 4 ) 2 [FeCl 5 ·(H 2 O)]

We combine high field polarization, magneto-infrared spectroscopy, and lattice dynamics calculations with prior magnetization to explore the properties of (NH 4 ) 2 [FeCl 5 ·(H 2 O)]-a type II molecular multiferroic in which the mixing between charge, structure, and magnetism is controlled by intermolecular hydrogen and halogen bonds. Electric polarization is sensitive to the series of field-induced spin reorientations, increasing linearly with the field and reaching a maximum before collapsing to zero across the quasi-collinear to collinear-sinusoidal reorientation due to the restoration of inversion symmetry. Magnetoelectric coupling is on the order of 1.2 ps/m for the P∥c, H∥c configuration between 5 and 25 T at 1.5 K. In this range, the coupling takes place via an orbital hybridization mechanism. Other forms of mixing are active in (NH 4 ) 2 [FeCl 5 ·(H 2 O)] as well. Magneto-infrared spectroscopy reveals that all of the vibrational modes below 600 cm –1 are sensitive to the field-induced transition to the fully saturated magnetic state at 30 T. We analyze these local lattice distortions and use frequency shifts to extract spin-phonon coupling constants for the Fe–O stretch, Fe–OH 2 rock, and NH 4 + libration. Inspection also reveals subtle symmetry breaking of the ammonium counterions across the ferroelectric transition. Here, the coexistence of such varied mixing processes in a platform with intermolecular hydrogen- and halogen-bonding opens the door to greater understanding of multiferroics and magnetoelectrics governed by through-space interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Relativistic Coulomb screening in pulsational pair instability supernovae

Pulsational pair-instability supernovae (PPISNe) and pair instability supernovae (PISNe) are the result of a thermonuclear runaway in the presence of a background electron-positron pair plasma. As such, their evolution and resultant black hole masses could possibly be affected by screening corrections due to the electron pair plasma. The sensitivity of PISNe and PPISNe to relativistic weak screening has been explored. In this paper a weak screening model that includes effects from relativistic pair production has been developed and applied at temperatures approaching and exceeding the threshold for pair production. This screening model replaces “classical” screening commonly used in astrophysics. Modifications to the weak screening electron Debye length were incorporated in a computationally tractable analytic form. In PPISNe the BH masses were found to increase somewhat at high temperatures, though this increase is small. The BH collapse is also found to occur at earlier times, and the pulsational morphology also changes. In addition to the resultant BH mass, the sensitivity to the screening model of the pulsational period, the pulse structure, the PPISN-to-PISN transition, and the shift in the BH mass gap has been analyzed. The dependence of the composition of the ejected mass was also examined.

79 ASTRONOMY AND ASTROPHYSICS↗