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At least 325 records · Page 18

Active Fluids Form System-Spanning Filamentary Networks

Recent experimental realizations of liquid-liquid phase separation of active liquid crystals have offered an insight into the interaction between phase separation, ubiquitous in soft matter and biology, and chaotic active flows. Here, in this Letter, we use continuum theory to examine phase separation of an active liquid crystal and a passive fluid and report two new results. First, we provide an analytical derivation of the activity-induced suppression of the phase boundary of the coexistence region—a result first reported in simulations and experiments. We show that the shift in the critical point is a result of the balance between self-stirring active flows and phase-separating diffusive fluxes. Second, we show that this same balance is responsible for dramatically changing the morphology of the phase separated state, resulting in the emergence of a new mixed active phase consisting of a dynamical filamentous active network that invades the entire system area, trapping droplets of passive material. This structure exists even for very low volume fractions of active material. Our work provides an important step towards the goal of understanding how to use activity as a new handle for sculpting interfaces.

active nematics↗

Asynchronous multilevel adaptive methods for solving partial differential equations on multiprocessors - Performance results

The fast adaptive composite grid method (FAC) is an algorithm that uses various levels of uniform grids (global and local) to provide adaptive resolution and fast solution of PDEs. Like all such methods, it offers parallelism by using possibly many disconnected patches per level, but is hindered by the need to handle these levels sequentially. The finest levels must therefore wait for processing to be essentially completed on all the coarser ones. A recently developed asynchronous version of FAC, called AFAC, completely eliminates this bottleneck to parallelism. This paper describes timing results for AFAC, coupled with a simple load balancing scheme, applied to the solution of elliptic PDEs on an Intel iPSC hypercube. These tests include performance of certain processes necessary in adaptive methods, including moving grids and changing refinement. A companion paper reports on numerical and analytical results for estimating convergence factors of AFAC applied to very large scale examples.

Mccormick, S.↗

Fuel-Efficient Descent and Landing Guidance Logic for a Safe Lunar Touchdown

The landing of a crewed lunar lander on the surface of the Moon will be the climax of any Moon mission. At touchdown, the landing mechanism must absorb the load imparted on the lander due to the vertical component of the lander's touchdown velocity. Also, a large horizontal velocity must be avoided because it could cause the lander to tip over, risking the life of the crew. To be conservative, the worst-case lander's touchdown velocity is always assumed in designing the landing mechanism, making it very heavy. Fuel-optimal guidance algorithms for soft planetary landing have been studied extensively. In most of these studies, the lander is constrained to touchdown with zero velocity. With bounds imposed on the magnitude of the engine thrust, the optimal control solutions typically have a "bang-bang" thrust profile: the thrust magnitude "bangs" instantaneously between its maximum and minimum magnitudes. But the descent engine might not be able to throttle between its extremes instantaneously. There is also a concern about the acceptability of "bang-bang" control to the crew. In our study, the optimal control of a lander is formulated with a cost function that penalizes both the touchdown velocity and the fuel cost of the descent engine. In this formulation, there is not a requirement to achieve a zero touchdown velocity. Only a touchdown velocity that is consistent with the capability of the landing gear design is required. Also, since the nominal throttle level for the terminal descent sub-phase is well below the peak engine thrust, no bound on the engine thrust is used in our formulated problem. Instead of bangbang type solution, the optimal thrust generated is a continuous function of time. With this formulation, we can easily derive analytical expressions for the optimal thrust vector, touchdown velocity components, and other system variables. These expressions provide insights into the "physics" of the optimal landing and terminal descent maneuver. These insights could help engineers to achieve a better "balance" between the conflicting needs of achieving a safe touchdown velocity, a low-weight landing mechanism, low engine fuel cost, and other design goals. In comparing the computed optimal control results with the preflight landing trajectory design of the Apollo-11 mission, we noted interesting similarities between the two missions.

guidance logic↗

Ground Heat Flux Reconstruction Using Bayesian Uncertainty Quantification Machinery and Surrogate Modeling

Ground heat flux (G 0 ) is a key component of the land-surface energy balance of high-latitude regions. Despite its crucial role in controlling permafrost degradation due to global warming, G 0 is sparsely measured and not well represented in the outputs of global scale model simulation. In this study, an analytical heat transfer model is tested to reconstruct G 0 across seasons using soil temperature series from field measurements, Global Climate Model, and climate reanalysis outputs. The probability density functions of ground heat flux and of model parameters are inferred using available G 0 data (measured or modeled) for snow-free period as a reference. When observed G 0 is not available, a numerical model is applied using estimates of surface heat flux (dependent on parameters) as the top boundary condition. These estimates (and thus the corresponding parameters) are verified by comparing the distributions of simulated and measured soil temperature at several depths. Aided by state-of-the-art uncertainty quantification methods, the developed G 0 reconstruction approach provides novel means for assessing the probabilistic structure of the ground heat flux for regional permafrost change studies.

54 ENVIRONMENTAL SCIENCES↗

Wealth inequality in the prehispanic northern US Southwest: from Malthus to Tyche

Persistent differences in wealth and power among prehispanic Pueblo societies are visible from the late AD 800s through the late 1200s, after which large portions of the northern US Southwest were depopulated. In this paper we measure these differences in wealth using Gini coefficients based on house size, and show that high Ginis (large wealth differences) are positively related to persistence in settlements and inversely related to an annual measure of the size of the unoccupied dry-farming niche. We argue that wealth inequality in this record is due first to processes inherent in village life which have internally different distributions of the most productive maize fields, exacerbated by the dynamics of systems of balanced reciprocity; and second to decreasing ability to escape village life owing to shrinking availability of unoccupied places within the maize dry-farming niche as villages get enmeshed in regional systems of tribute or taxation. We embed this analytical reconstruction in the model of an ‘Abrupt imposition of Malthusian equilibrium in a natural-fertility, agrarian society’ proposed by Puleston et al. (Puleston C, Tuljapurkar S, Winterhalder B. 2014 PLoS ONE 9, e87541 (doi:10.1371/journal.pone.0087541)), but show that the transition to Malthusian dynamics in this area is not abrupt but extends over centuries. This article is part of the theme issue ‘Evolutionary ecology of inequality’.

99 GENERAL AND MISCELLANEOUS↗

Three-Dimensional High-Order Spectral Volume Method for Solving Maxwell's Equations on Unstructured Grids

A three-dimensional, high-order, conservative, and efficient discontinuous spectral volume (SV) method for the solutions of Maxwell's equations on unstructured grids is presented. The concept of discontinuous 2nd high-order loca1 representations to achieve conservation and high accuracy is utilized in a manner similar to the Discontinuous Galerkin (DG) method, but instead of using a Galerkin finite-element formulation, the SV method is based on a finite-volume approach to attain a simpler formulation. Conventional unstructured finite-volume methods require data reconstruction based on the least-squares formulation using neighboring cell data. Since each unknown employs a different stencil, one must repeat the least-squares inversion for every cell at each time step, or to store the inversion coefficients. In a high-order, three-dimensional computation, the former would involve impractically large CPU time, while for the latter the memory requirement becomes prohibitive. In the SV method, one starts with a relatively coarse grid of triangles or tetrahedra, called spectral volumes (SVs), and partition each SV into a number of structured subcells, called control volumes (CVs), that support a polynomial expansion of a desired degree of precision. The unknowns are cell averages over CVs. If all the SVs are partitioned in a geometrically similar manner, the reconstruction becomes universal as a weighted sum of unknowns, and only a few universal coefficients need to be stored for the surface integrals over CV faces. Since the solution is discontinuous across the SV boundaries, a Riemann solver is thus necessary to maintain conservation. In the paper, multi-parameter and symmetric SV partitions, up to quartic for triangle and cubic for tetrahedron, are first presented. The corresponding weight coefficients for CV face integrals in terms of CV cell averages for each partition are analytically determined. These discretization formulas are then applied to the integral form of the Maxwell equations. All numerical procedures for outer boundary, material interface, zonal interface, and interior SV face are unified with a single characteristic formulation. The load balancing in a massive parallel computing environment is therefore easier to achieve. A parameter is introduced in the Riemann solver to control the strength of the smoothing term. Important aspects of the data structure and its effects to communication and the optimum use of cache memory are discussed. Results will be presented for plane TE and TM waves incident on a perfectly conducting cylinder for up to fifth order of accuracy, and a plane wave incident on a perfectly conducting sphere for up to fourth order of accuracy. Comparisons are made with exact solutions for these cases.

Liu, Yen↗

Crack opening calculation in phase-field modeling of fluid-filled fracture: A robust and efficient strain-based method

The phase-field method has become popular for the numerical modeling of fluid-filled fractures, thanks to its ability to represent complex fracture geometry without algorithms. However, the algorithm-free representation of fracture geometry poses a significant challenge in calculating the crack opening (aperture) of phase-field fracture, which governs the fracture permeability and hence the overall hydromechanical behavior. Although several approaches have been devised to compute the crack opening of phase-field fracture, they require a sophisticated algorithm for post-processing the phase-field values or an additional parameter sensitive to the element size and alignment. Here, we develop a novel method for calculating the crack opening of fluid-filled phase-field fracture, which enables one to obtain the crack opening without additional algorithms or parameters. Here we transform the displacement-jump-based kinematics of a fracture into a continuous strain-based version, insert it into a force balance equation on the fracture, and apply the phase-field approximation. Through this procedure, we obtain a simple equation for the crack opening which can be calculated with quantities at individual material points. We verify the proposed method with analytical and numerical solutions obtained based on discrete representations of fractures, demonstrating its capability to calculate the crack opening regardless of the element size or alignment.

58 GEOSCIENCES↗

Critical Shear Stresses for Erosion from Yield Stresses

The critical shear stress for erosion is important in many fields of engineering and science that involve suspension of particles from settled particle beds. However, determining the critical shear stress for erosion remains intricate, particularly where interparticle forces play a key role. Because these forces vary widely (Pease, et al., 2019), a more convenient means of estimating the critical shear stress for erosion would be advantageous. Here we evaluate the assertion that critical shear stresses for erosion may be derived from yield stresses for nominally cohesive particle beds across the full range of particle Reynolds numbers. The critical shear stress for erosion for non-cohesive particle beds may be estimated from the Shields diagrams or the analytical expressions from conservation of force about a particle at the interface. However, equivalent diagrams for cohesive particle beds have remained elusive. In 1992, pioneering analysis by Dade included the influence of the van der Waals force in particle forces balances to show that the critical shear stresses for erosion may be related to yield stresses subject to the limitations of small particle Reynolds numbers, flat particle beds, uniform particle diameters, and negligible electrostatic forces. Here we relax these restrictions. We find that the critical shear stress for erosion does relate to the yield stresses in a linear fashion for sufficiently large yield stresses. A criterion is developed to determine when the yield stresses may be important. Pease LF, AJ Fuher, JA Bamberger, and MJ Minette. 2024. Shields Diagrams for Cohesive Particle Beds. Manuscript. Dade WB, ARM Nowell and PA Jumars. 1992. “Predicting erosion resistance of muds.” Marine Geology, 105 (1992) 285-297.

shear stress, erosion, yield stress, slurry, settl↗

Plume/flowfield jet interaction effects on the Space Shuttle Orbiter during entry

A comparison of wind tunnel test results with actual flight test data from the performance of the Orbiter Reaction Control System during the STS-1 and -2 flights is presented. Jet interaction phenomena were modeled analytically and a decision was made to develop a jet interaction scaling parameter from empirical measurements wherever possible. A number of different scaling parameters resulted, and errors bounds were determined for tunnel-to-tunnel differences, model to tunnel differences, balance accuracy, real gas effects, varying nozzle configurations, and angle of sideslip. Flight test data has concentrated on the lateral/directional jet interaction of the aft yaw jets, which operate almost continuously from entry down to Mach 1 conditions. A discussion of rolling moments, side forces, and results of usage of the aft pitch and roll jets indicates an underprediction of the side force and yawing moment and overprediction of pitch and roll jet effects.

Kanipe, D. B.↗

Properties of Longitudinal Flux Tube Waves: Wave Propagation in Solar and Stellar Wind Flows - III

We discuss the analytic properties of longitudinal tube waves taking into account ambient wind flows. This is an extension of the studies of Papers I and II, which assumed a mean flow speed of zero and also dealt with a simplified horizontal pressure balance. Applications include the study of longitudinal flux tube waves in stars with significant mass loss and heating and dynamics of plumes in the solar wind. Slow magnetosonic waves, also called longitudinal waves, have been observed in solar plumes and are likely an important source of heating. We show that the inclusion of ambient wind flows considerably alters the limiting shock strength as well as the energy damping length of waves.

Cuntz, M.↗

Properties of Longitudinal Flux Tube Waves: Wave Propagation in Solar and Stellar Wind FLows - III

We discuss the analytic properties of longitudinal tube waves taking into account ambient wind flows. This is an extension of the studies of Papers I and II, which assumed a mean flow speed of zero and also dealt with a simplified horizontal pressure balance. Applications include the study of longitudinal flux tube waves in stars with significant mass loss and the heating and dynamics of plumes in the solar wind. Slow magnetosonic waves, also called longitudinal waves, have been observed in solar plumes and are likely an important source of heating. We show that the inclusion of ambient wind flows considerably alters the limiting shock strength as well as the energy damping length of the waves.

Cuntz, M.↗

Site-Differentiated Iron–Sulfur Cluster Ligation Affects Flavin-Based Electron Bifurcation Activity

Electron bifurcation is an elegant mechanism of biological energy conversion that effectively couples three different physiologically relevant substrates. As such, enzymes that perform this function often play critical roles in modulating cellular redox metabolism. One such enzyme is NADH-dependent reduced-ferredoxin: NADP+ oxidoreductase (NfnSL), which couples the thermodynamically favorable reduction of NAD+ to drive the unfavorable reduction of ferredoxin from NADPH. The interaction of NfnSL with its substrates is constrained to strict stoichiometric conditions, which ensures minimal energy losses from non-productive intramolecular electron transfer reactions. However, the determinants for this are not well understood. One curious feature of NfnSL is that both initial acceptors of bifurcated electrons are unique iron–sulfur (FeS) clusters containing one non-cysteinyl ligand each. The biochemical impact and mechanistic roles of site-differentiated FeS ligands are enigmatic, despite their incidence in many redox active enzymes. Herein, we describe the biochemical study of wild-type NfnSL and a variant in which one of the site-differentiated ligands has been replaced with a cysteine. Results of dye-based steady-state kinetics experiments, substrate-binding measurements, biochemical activity assays, and assessments of electron distribution across the enzyme indicate that this site-differentiated ligand in NfnSL plays a role in maintaining fidelity of the coordinated reactions performed by the two electron transfer pathways. Given the commonality of these cofactors, our findings have broad implications beyond electron bifurcation and mechanistic biochemistry and may inform on means of modulating the redox balance of the cell for targeted metabolic engineering approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SIERRA Multimechanics Module: Aria User Manual - Version 4.58

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( %3C 1 ) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newtons method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic -adaptivity and dynamic load balancing are some of Arias more advanced capabilities.

97 MATHEMATICS AND COMPUTING↗

SIERRA Multimechanics Module: Aria Thermal Theory Manual (V.5.0)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( Re < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newtons method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic -adaptivity and dynamic load balancing are some of Arias more advanced capabilities.

97 MATHEMATICS AND COMPUTING↗

Influence of a Simple Heat Loss Profile on a Pure Diffusion Flame

The presence of soot on the fuel side of a diffusion flame results in significant radiative heat losses. The influence of a fuel side heat loss zone on a pure diffusion flame established between a fuel and an oxidizer wall is investigated by assuming a hypothetical sech(sup 2) heat loss profile. The intensity and width of the loss zone are parametrically varied. The loss zone is placed at different distances from the Burke-Schumann flame location. The migration of the temperature and reactivity peaks are examined for a variety of situations. For certain cases the reaction zone breaks through the loss zone and relocates itself on the fuel side of the loss zone. In all cases the temperature and reactivity peaks move toward the fuel side with increased heat losses. The flame structure reveals that the primary balance for the energy equation is between the reaction term and the diffusion term. Extinction plots are generated for a variety of situations. The heat transfer from the flame to the walls and the radiative fraction is also investigated, and an analytical correlation formula, derived in a previous study, is shown to produce excellent predictions of our numerical results when an O(l) numerical multiplicative constant is employed.

Ray, Anjan↗

First-Principles Insights into the Thermodynamics of Variable-Temperature Ammonia Synthesis on Transition-Metal-Doped Cu (100) and (111)

Ammonia (NH 3 ) is one of the most produced chemicals worldwide. NH 3 synthesis predominantly utilizes the Haber–Bosch (HB) process, requiring high temperatures and pressures. Despite significant process advances, ample opportunity remains for improving the rate, selectivity, catalyst stability, and energy efficiency. Inspired by a recently developed programmable heating and quenching (PHQ) technique, we present in this paper a first-principles screening of candidate single-atom alloy catalysts generated from doping (111) and (100) surfaces of copper (Cu), an ineffective HB catalyst in its pure form. We predict the thermodynamics of two rate-limiting reactions, N 2 dissociative adsorption and the final hydrogenation step leading up to NH 3 release, at 400 and 900 K. Thermodynamically, the former reaction is favored at low temperatures, while the latter is favored at high temperatures. Vanadium-, chromium-, and molybdenum-doped Cu surfaces, due to intermediate M–N covalent bonding character, emerge as appealing candidate catalysts for PHQ NH 3 synthesis, as they balance the thermodynamics of the above-mentioned reaction steps at their respective optimal temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗