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At least 1,171 records · Page 65

Approximate minimum-time trajectories for two-link flexible manipulators

The method of recursive quadratic programming was used to generate approximate minimum-time tip trajectories for two-link semi-rigid and flexible manipulator movements in the horizontal plane. The manipulator is modeled with an efficient finite-element scheme for an n-link, m-joint system with bending only in the horizontal plane. Constraints on the trajectory include boundary conditions on position and energy for a rest-to-rest maneuver, straight-line tracking between boundary positions, and motor torque limits. Trajectory comparisons utilize a change in the link stiffness to compare a semi-rigid configuration to a flexible one. The level of bending flexibility necessary to excite significant modal behavior is demonstrated. Applied torques for minimum-time maneuvers are shown to be very similar between configurations and retain much of the qualitative character of rigid-body slewing motion.

Eisler, G. R.↗

Galaxy assembly bias and large-scale distribution: a comparison between IllustrisTNG and a semi-analytic model

In this work, we compare large scale structure observables for stellar mass selected samples at z = 0, as predicted by two galaxy models, the hydrodynamical simulation IllustrisTNG and the Santa-Cruz semi-analytic model (SC-SAM). Although both models have been independently calibrated to match observations, rather than each other, we find good agreement between the two models for two-point clustering and galaxy assembly bias signatures. The models also show a qualitatively similar response of occupancy and clustering to secondary halo parameters other than mass, such as formation history and concentration, although with some quantitative differences. Thus, our results demonstrate that the galaxy–halo relationships in SC-SAM and TNG are quite similar to first order. However, we also find areas in which the models differ. For example, we note a strong correlation between halo gas content and environment in TNG, which is lacking in the SC-SAM, as well as differences in the occupancy predictions for low-mass haloes. Moreover, we show that higher order statistics, such as cumulants of the density field, help us to accurately describe the galaxy distribution and discriminate between models that show degenerate behaviour for two-point statistics. Our results suggest that SAMs are a promising cost-effective and intuitive method for generating mock catalogues for next generation cosmological surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Explanation and Application of the Evolving Contact Traction Fields in Shallow Foundation Systems

The present paper provides a qualitative discussion of the evolution of contact traction fields beneath rigid shallow foundations resting on granular materials. A phenomenological similarity is recognized in the measured contact traction fields of rigid footings and at the bases of sandpiles. This observation leads to the hypothesis that the stress distributions are brought about by the same physical phenomena, namely the development of arching effects through force chains and mobilized intergranular friction. A set of semi-empirical equations are suggested for the normal and tangential components of this contact traction based on past experimental measurements and phenomenological assumptions of frictional behaviors at the foundation system scale. These equations are then applied to the prescribed boundary conditions for the analysis of the settlement, resistance, and stress fields in supporting granular materials beneath the footing. A parametric sensitivity study is performed on the proposed modelling method, highlighting solutions to the boundary-value problems in an isotropic, homogeneous elastic half-space.

42 ENGINEERING↗

Flash electropolishing of BCC Fe and Fe-based alloys

The preparation of transmission electron microscopy (TEM) samples is a critical step in the characterization of materials, and the focused ion beam (FIB) technique is a commonly used method. However, a significant limitation of this technique is the FIB-induced damages on the foil surfaces, which can obscure the real features of interest, particularly in radiation effects studies. To overcome this limitation, this study presents a detailed description of the flash electropolishing technique, which can be used to remove the FIB damage from samples. The flash electropolishing technique has been successfully applied to a range of materials, including Fe, Fe-based model alloys, commercial Fe-Cr alloys, and advanced Fe-Cr alloys, both in their as-received and ion-irradiated states. Furthermore, the parameters used for Fe-Cr model alloys can be adjusted for commercial and advanced alloys with minimal modifications. Further, the study also examined the effects of electropolishing variables, such as perchloric acid concentration, electropolishing temperature, Cr concentration, and voltage. Qualitatively, a general trend and scoping test strategy is explored in our experiments. Overall, the flash electropolishing technique offers a promising solution to the challenges posed by FIB-induced damages in the preparation of TEM samples.

36 MATERIALS SCIENCE↗

Two-electron interference in two-photon attosecond double ionization of neon

The pump-probe experiments enabled by x-ray free-electron lasers (XFEL) will allow us to directly observe correlated electronic motion with attosecond time resolution by detecting photoelectron pairs in coincidence. In helium, the transition between the nonsequential and sequential regime in two-photon double ionization (TPDI) is well explained by a virtual-sequential model. Much less is known, however, about the TPDI process in more complex atoms. Recently, we extended the virtual-sequential model to arbitrary light pulses [Chattopadhyay Phys. Rev. A 108, 013114 (2023)]. This extension employs multichannel scattering states for the single ionization of both the neutral and the ionized target, which we initially applied to helium. In the present study, we show that our extended virtual-sequential model reproduces the qualitative features of the angularly integrated observables with available experimental results for neon, a considerably more complex target. We observe an intriguing feature of inverted two-particle interference in the joint-energy distribution of Ne compared to He. Finally, this phenomenon, attributable to the presence of a final doubly ionized state with triplet symmetry coupled to the two photoelectrons, should be observable with current experimental technologies.

74 ATOMIC AND MOLECULAR PHYSICS↗

Cloud properties inferred from 8-12 micron data

A trispectral combination of observations at 8-, 11-, and 12-micron bands is suggested for detecting cloud and cloud properties in the infrared. Atmospheric ice and water vapor absorption peak in opposite halves of the window region so that positive 8-minus-11-micron brightness temperature differences indicate cloud, while near-zero or negative differences indicate clear regions. The absorption coefficient for water increases more between 11 and 12 microns than between 8 and 11 microns, while for ice, the reverse is true. Cloud phases is determined by a scatter diagram of 8-minus-11-micron versus 11-minus-12-micron brightness temperature differences; ice cloud shows a slope greater than 1 and water cloud less than 1. The trispectral brightness temperature method was tested upon high-resolution interferometer data resulting in clear-cloud and cloud-phase delineation. Simulations using differing 8-micron bandwidths revealed no significant degradation of cloud property detection. Thus, the 8-micron bandwidth for future satellites can be selected based on the requirements of other applications, such as surface characterization studies. Application of the technique to current polar-orbiting High-Resolution Infrared Sounder (HIRS)-Advanced Very High Resolution Radiometer (AVHRR) datasets is constrained by the nonuniformity of the cloud scenes sensed within the large HIRS field of view. Analysis of MAS (MODIS Airborne Simulator) high-spatial resolution (500 m) data with all three 8-, 11-, and 12-micron bands revealed sharp delineation of differing cloud and background scenes, from which a simple automated threshold technique was developed. Cloud phase, clear-sky, and qualitative differences in cloud emissivity and cloud height were identified on a case study segment from 24 November 1991, consistent with the scene. More rigorous techniques would allow further cloud parameter clarification. The opportunities for global cloud delineation with the Moderate-Resolution Imaging Spectrometer (MODIS) appear excellent. The spectral selection, the spatial resolution, and the global coverage are all well suited for significant advances.

Strabala, Kathleen I.↗

Energy Master Planning for Resilient Public Communities—Best Practices from U.S. Military Installations

Until recently, most planners at military installations addressed energy systems for new facilities on an individual facility basis without consideration of community-wide goals relevant to energy sources, renewables, storage, or future energy generation needs. Building retrofits of public buildings typically do not address energy needs beyond the minimum code requirements making it difficult, if not impossible, to achieve community-level targets on a building-by-building basis. Planning on the basis of cost and general reliability may also fail to deliver community-level resilience. For example, many building code requirements focus on hardening to specific threats, but in a multi-building community, only a few of these buildings may be mission-critical. Over the past two decades, the frequency and duration of regional power outages and water utility disruptions from weather, man-made events, and aging infrastructure have increased. Major disruptions of electric and thermal energy have degraded critical mission capabilities and caused significant economic impacts. In 2016, the U.S. Department of Defense issued guidance that each Service (Army, Navy, Air Force, Marines) complete comprehensive energy plans for the installations that consumed 75% of total building energy. Guidance was updated in 2017 to include metrics for energy resilience, and in some cases, water. This paper describes how community level quantitative and qualitative resilience analysis and metrics have been incorporated into community energy and water planning best practices for military installations in three geographically diverse locations. It is based on research performed under the International Energy Agency’s “Energy in Buildings and Communities Program Annex 73,” focusing on development of guidelines and tools that support the planning of Net Zero Energy Resilient Public Communities as well as research performed under the Department of Defense Environmental Security Technology Certification Program project EW18-D1- 5281, “Technologies Integration to Achieve Resilient, Low- Energy Military Installations.” The first case study reviews progress made on an energy and water planning study conducted at Fort Bliss, Texas. The second and third describes planning conducted at Fort Bragg, North Carolina and the Joint Region Marianas, Guam, respectively, under the updated guidance from 2017 regarding energy and water resilience. Analysis methods, key metrics, and key infrastructure and operational constraints are described, as well as technical, economic and business concepts used during the planning process.

Urban, Angela B.↗

Navier-Stokes solutions for two-dimensional subsonic base flow

Methods for determining the effects of mass injection from the trailing edge of a bluff body at low speeds and in transonic flow were numerically studied along with an unmodified blunt-based body to gain insight into the effects of vortex shedding on the base drag. The methodology used to obtain finite-difference solutions to the Navier-Stokes equations for subsonic compressible two-dimensional near-wake flows is presented. The effectiveness of an introduced outflow boundary condition which minimizes reflections back into the computational domain was demonstrated with the solution of a model vortex problem. Calculations of the near-wake flow past a circular cylinder were in excellent agreement with experimental data. Laminar-flow solutions for a blunt-based model with and without a base cavity and with mass injection into the wake agreed qualitatively with experimental observations. The drag reduction capability provided by such base modifications was demonstrated.

Rudy, D. H.↗

Human Factors and Habitability Challenges for Mars Missions

As NASA is planning to send humans deeper into space than ever before, adequate crew health and performance will be critical for mission success. Within the NASA Human Research Program (HRP), the Space Human Factors and Habitability (SHFH) team is responsible for characterizing the risks associated with human capabilities and limitations with respect to long-duration spaceflight, and for providing mitigations (e.g., guidelines, technologies, and tools) to promote safe, reliable and productive missions. SHFH research includes three domains: Advanced Environmental Health (AEH), Advanced Food Technology (AFT), and Space Human Factors Engineering (SHFE). The AEH portfolio focuses on understanding the risk of microbial contamination of the spacecraft and on the development of standards for exposure to potential toxins such as chemicals, bacteria, fungus, and lunar/Martian dust. The two risks that the environmental health project focuses on are adverse health effects due to changes in host-microbe interactions, and risks associated with exposure to dust in planetary surface habitats. This portfolio also proposes countermeasures to these risks by making recommendations that relate to requirements for environmental quality, foods, and crew health on spacecraft and space missions. The AFT portfolio focuses on reducing the mass, volume, and waste of the entire integrated food system to be used in exploration missions, and investigating processing methods to extend the shelf life of food items up to five years, while assuring that exploration crews will have nutritious and palatable foods. The portfolio also delivers improvements in both the food itself and the technologies for storing and preparing it. SHFE sponsors research to establish human factors and habitability standards and guidelines in five risk areas, and provides improved design concepts for advanced crew interfaces and habitability systems. These risk areas include: Incompatible vehicle/habitat design, inadequate human-computer interaction, inadequate critical task design, inadequate human-automation/robotic interaction, and performance errors due to training deficiencies. To address the identified research gaps within each risk, SHFH's research plan includes studies in the laboratory, in analogs, and on International Space Station (ISS). In addition to establishing and maintaining the risk-based research portfolio, SHFH is also implementing a qualitative approach to determine how we at NASA evaluate human performance. Via interviews with experts, such as trainers, flight controllers, and flight surgeons, we are collecting the metrics by which they assess human performance, evidence of performance issues, and potential or actual consequences. The Human Performance Data Project will determine what human performance data have been collected in the past at NASA, and what data should be collected in the future in order to complete our knowledgebase and reduce risks related to human factors and habitability.

Whitmore, Mihriban↗

Exploring pressure-dependent inelastic deformation and failure in bonded granular composites: An energetic materials perspective

In polymer-filled granular composites, damage may develop in mechanical loading prior to material failure. Damage mechanisms such as microcracking or plastic deformation in the binder phase can substantially alter the material’s mesostructure. For energetic materials, such as solid propellants and plastic bonded explosives, these mesostructural changes can have far reaching effects including degraded mechanical properties, potentially increased sensitivity to further insults, and changes in expected performance. Unfortunately, predicting damage is nontrivial due to the complex nature of these composites and the entangled interactions between inelastic mechanisms. In this work, we assess the current literature of experimental knowledge, focusing on the pressure-dependent shear response, and propose a simple simulation framework of bonded particles to study four limiting-case material formulations at both meso- and macro-scales. Further, to construct the four cases, we systematically vary the relative interfacial strength between the polymer binder and granular filler phase and also vary the polymer’s glass transition temperature relative to operating temperature which determines how much the binder can plastically deform. These simulations identify key trends in global mechanical response, such as the emergence of strain hardening or softening regimes with increasing pressure which qualitatively resemble experimental results. By quantifying the activation of different inelastic mechanisms, such as bonds breaking and plastically straining, we identify when each mechanism becomes relevant and provide insight into potential origins for changes in mechanical responses. The locations of broken bonds are also used to define larger, mesoscopic cracks to test various metrics of damage. We primarily focus on triaxial compression, but also test the opposite case of triaxial extension to highlight the impact of Lode angle on mechanical behavior.

36 MATERIALS SCIENCE↗

Peptide nucleic acid Hoogsteen strand linker design for major groove recognition of DNA thymine bases

Sequence-specific targeting of double-stranded DNA and non-coding RNA via triple-helix-forming peptide nucleic acids (PNAs) has attracted considerable attention in therapeutic, diagnostic and nanotechnological fields. An E-base (3-oxo-2,3-dihydropyridazine), attached to the polyamide backbone of a PNA Hoogsteen strand by a side-chain linker molecule, is typically used in the hydrogen bond recognition of the 4-oxo group of thymine and uracil nucleic acid bases in the major groove. We report on the application of quantum chemical computational methods, in conjunction with spatial constraints derived from the experimental structure of a homopyrimidine PNA·DNA-PNA hetero-triplex, to investigate the influence of linker flexibility on binding interactions of the E-base with thymine and uracil bases in geometry-optimised model systems. Hydrogen bond formation between the N2 E-base atom and target pyrimidine base 4-oxo groups in model systems containing a β-alanine linker (J Am Chem Soc 119:11116, 1997) was found to incur significant internal strain energy and the potential disruption of intra-stand aromatic base stacking interactions in an oligomeric context. Additionally, in geometry-optimised model systems containing a 3-trans olefin linker (Bioorg Med Chem Lett 14:1551, 2004) the E-base swung out away from the target pyrimidine bases into the solvent. These findings are in qualitative agreement with calorimetric measurements in hybridisation experiments at T–A and U–A inversion sites. In contrast, calculations on a novel 2-cis olefin linker design indicate that it could permit simultaneous E-base hydrogen bonding with the thymine 4-oxo group, circumvention and solvent screening of the thymine 5-methyl group, and maintenance of triplex intra-stand base stacking interactions.

59 BASIC BIOLOGICAL SCIENCES↗

Calculation of the longitudinal aerodynamic characteristics of wing-flap configurations with externally blown flaps

A theoretical investigation was carried out to extend and improve an existing method for predicting the longitudinal characteristics of wing flap configurations with externally blown flaps (EBF). Two potential flow models were incorporated into the prediction method: a wing and flap lifting-surface model and a turbofan engine wake model. The wing-flap model uses a vortex-lattice approach to represent the wing and flaps. The jet wake model consists of a series of closely spaced vortex rings normal to a centerline which may have vertical and lateral curvature to conform to the local flow field beneath the wing and flaps. Comparisons of measured and predicted pressure distributions, span load distributions on each lifting surface, and total lift and pitching moment coefficients on swept and unswept EBF configurations are included. A wide range of thrust coefficients and flap deflection angles is considered at angles of attack up to the onset of stall. Results indicate that overall lift and pitching-moment coefficients are predicted reasonably well over the entire range. The predicted detailed load distributions are qualitatively correct and show the peaked loads at the jet impingement points, but the widths and heights of the load peaks are not consistently predicted.

Mendenhall, M. R.↗

Surface Segregation Studies in Ternary Noble Metal Alloys: Comparing DFT and Machine Learning with Experimental Data

Abstract Surface segregation, whereby the surface composition of an alloy differs systematically from the bulk, has historically been hard to study, because it requires experimental and modeling methods that span alloy composition space. In this work, we study surface segregation in catalytically relevant noble and platinum‐group metal alloys with a focus on three ternary systems: AgAuCu, AuCuPd, and CuPdPt. We develop a data set of 2478 fcc slabs with those compositions including all three low‐index crystallographic orientations relaxed with Density Functional Theory using the PBEsol functional with D3 dispersion corrections. We fine‐tune a machine learning model on this data and use the model in a series of 1800 Monte Carlo simulations spanning ternary composition space for each surface orientation and ternary chemical system. The results of these simulations are validated against prior experimental surface segregation data collected using composition spread alloy films for AgAuCu and AuCuPd. Our findings reveal that simulations conducted using the (110) orientation most closely match experimentally observed surface segregation trends, and while predicted trends qualitatively match observation, biases in the PBEsol functional limit numeric accuracy. This study advances understanding of surface segregation and the utility of computational studies and highlights the need for further improvements in simulation accuracy.

Chemistry↗

Anelasticity and Phase Transition During Ramp-Release in Tin

This study examines the qualitative features of an anelasticity model associated with the bowing of dislocations in the presence of phase transition. A simple physically plausible mechanism is introduced to describe the interaction of anelasticity and the transformation. Varying the anelastic parameters results in strong differences in the deviatoric stress response. The model is applied to study the behavior of tin (Sn) and compared to data from ramp driven compression-release experiments. Tin exhibits a complex phase diagram within a relatively accessible range of temperature and pressures and the characterization of its phases is considered an open problem with significant scientific merit. The coupling between anelasticity, plasticity, and phase transformation contributes to release wave features traditionally associated with the phase transition effect alone suggesting the importance of accounting for the effects jointly. Posterior distributions of the plastic and anelastic parameters are computed using Bayesian-inference-based methods, further highlighting the importance of anelasticity in this regime.

36 MATERIALS SCIENCE↗

Designing interagency responses to wicked problems: A viable system model board game

Government agencies struggle to address wicked problems because they are open-ended, highly interdependent issues that cross agency, stakeholder, jurisdictional, and geopolitical boundaries. While both quantitative modelling and qualitative problem structuring methodologies have been used to support interagency decision making in the past, co-designing an effective interagency organization to collaboratively tackle wicked problems is more challenging. Few approaches have been developed to enable such efforts. This paper explains how the viable system model (VSM) was implemented through a board game, which was employed to co-design an interagency meta-organization that would be capable of more effectively collaborating to jointly address a wicked problem: international organized drug crime and its interface with local gangs in Chicago, USA. The board game was developed to make the VSM easier for the participants to learn, given that the cybernetic language and engineering-influenced diagrams in the original literature can be off-putting to leaders and managers. The board game was used as the final stage of a multi-method, systemic approach, which involved boundary critique and problem structuring as well as deployment of the VSM. The research findings indicate that the VSM board game, used as part of a larger mixed-methods systemic intervention, contributes to building trust in the value of systems thinking amongst the participants, and sets up a rich context for collaboration on multi-agency co-design. The game therefore offers significant promise as part of the co-design of interagency responses to wicked problems because it creates an embodied process for stakeholders to learn about the VSM. It also reduces the work involved in this learning. Thus, the game enables an effective appropriation of the VSM language and criteria.

Business & Economics↗

Spatial heterogeneity analyses of pore structure and mineral composition of Barnett Shale using X-ray scattering techniques

The spatial heterogeneity of pore structure and mineral composition at mu m to mm scales in mm to cm-sized shale samples complicates the laboratory measurements of porosity & pore size distribution and consequently reservoir quality evaluation. Traditional fluid invasion characterization methods typically take hours to days to get data and can only test relatively small samples (usually 2.54 cm diameter core plugs and mm-sized rock chips). Furthermore, the Xray scattering techniques at the Advanced Photon Source of the Argonne National Laboratory have the capability to non-destructively determine the pore structure and mineral composition of mm x mm area in a short time of seconds and to hold several to hundreds of mm 2 sized sample to conduct large area heterogeneity analysis in the short duration of hours. With the use of ultra-small angle X-ray scattering (USAXS), small-angle X-ray scattering (SAXS), and wide-angle X-ray scattering (WAXS), the porosity, surface area and pore size distribution of two Barnett Shale samples have been mapped out and the mineral compositions are determined qualitatively. Overall, the porosity and pore surface area of the Barnett Shale Sample A over a 36 cm2 area ranges from 1.70 % to 8.13 % and 8.87 m 2 /g to 40.2 m 2 /g respectively. The porosity and surface area of Sample B over a 24 cm 2 area varies from 3.15 % to 11.7 % and 18.3 m 2 /g to 60.2 m 2 /g. In Sample A, the mineral composition shows a shift from carbonate-rich to siliciclastic-rich over a distance of several millimeters. For Sample B, the mineral compositions are mainly siliciclastic and do not show an obvious lithological change. The direct observations of high spatial heterogeneity of pore structure and mineral composition in shale illustrate the utility of integrated X-ray scattering techniques to provide valuable insights into shale studies and reservoir evaluation.

58 GEOSCIENCES↗

Coupled magnetostructural continuum model for multiferroic BiFeO 3

Here, a continuum approach to study magnetoelectric multiferroic BiFeO 3 (BFO) is proposed. Our modeling effort marries the ferroelectric (FE) phase field method and micromagnetic simulations to describe the entire multiferroic order parameter sector (polarization, oxygen antiphase tilts, strain, and magnetism) self-consistently on the same time- and length scale. In this paper, we discuss our choice of FE and magnetic energy terms and demonstrate benchmarks against known behavior. We parametrize the lowest order couplings of the structural distortions against previous predictions from density functional theory calculations giving access to simulations of the FE domain wall (DW) topology. This allows us to estimate the energetic hierarchy and thicknesses of the numerous structural DWs. We then extend the model to the canted antiferromagnetic order and demonstrate how the FE domain boundaries influence the resulting magnetic DWs. We also highlight some capabilities of this model by providing two examples relevant for applications. We demonstrate spin-wave transmission through the multiferroic domain boundaries which identify rectification in qualitative agreement with recent experimental observations. As a second example of application, we model fully dynamical magnetoelectric switching, where we find a sensitivity on the Gilbert damping with respect to switching pathways. We envision that this modeling effort will set the basis for further work on properties of arbitrary 3D nanostructures of BFO (and related multiferroics) at the mesoscale.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

X-ray clusters from a high-resolution hydrodynamic PPM simulation of the cold dark matter universe

A new three-dimensional hydrodynamic code based on the piecewise parabolic method (PPM) is utilized to compute the distribution of hot gas in the standard Cosmic Background Explorer (COBE)-normalized cold dark matter (CDM) universe. Utilizing periodic boundary conditions, a box with size 85 h(exp-1) Mpc, having cell size 0.31 h(exp-1) Mpc, is followed in a simulation with 270(exp 3)=10(exp 7.3) cells. Adopting standard parameters determined from COBE and light-element nucleosynthesis, Sigma(sub 8)=1.05, Omega(sub b)=0.06, we find the X-ray-emitting clusters, compute the luminosity function at several wavelengths, the temperature distribution, and estimated sizes, as well as the evolution of these quantities with redshift. The results, which are compared with those obtained in the preceding paper (Kang et al. 1994a), may be used in conjuction with ROSAT and other observational data sets. Overall, the results of the two computations are qualitatively very similar with regard to the trends of cluster properties, i.e., how the number density, radius, and temeprature depend on luminosity and redshift. The total luminosity from clusters is approximately a factor of 2 higher using the PPM code (as compared to the 'total variation diminishing' (TVD) code used in the previous paper) with the number of bright clusters higher by a similar factor. The primary conclusions of the prior paper, with regard to the power spectrum of the primeval density perturbations, are strengthened: the standard CDM model, normalized to the COBE microwave detection, predicts too many bright X-ray emitting clusters, by a factor probably in excess of 5. The comparison between observations and theoretical predictions for the evolution of cluster properties, luminosity functions, and size and temperature distributions should provide an important discriminator among competing scenarios for the development of structure in the universe.

Bryan, Greg L.↗