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At least 757 records · Page 42

Integrating Human Factors in Dynamic Rideshare Assignment: Willingness-To-Pay for Delay

Dynamic ride-sharing (DRS) has been projected to be a key solution to lowering system-wide congestion. Despite recent developmental progress, demand studies for DRS suggest low levels of willingness for travelers to use such services. The disconnect between DRS system designs and user preferences limits the application impacts of DRS in the real world. Therefore, this paper aims to design a new DRS trip/vehicle assignment strategy by considering the user preferences of choices under different levels of service. In this study, an agent-based simulation approach is used to model a fleet of shared vehicles that allows DRS. An optimization model is developed to match riders to vehicles while accounting for traveler delay and delay acceptance. Travelers are also dynamically issued predictive discounts, catered to their expected willingness to pay, to incentivize them to accept longer trip delays. Results show that the proposed approach can improve system efficiency by increasing average vehicle occupancy by up to 1.0 persons/trip and DRS acceptance by up to 38.9% depending on fleet size. Additionally, congestion is eased through the decrease of empty vehicle miles traveled by up to 7.1%.

Paul, Joseph↗

The Structural Characterisation and DFT-Aided Interpretation of Vibrational Spectra for Cyclo(l-Cys-d-Cys) Cyclic Dipeptide in a Solid State

Cyclic dipeptides with two intramolecular peptide bonds forming a six-membered 2,5-diketopiperazine ring are gaining significant attention due to their biological and chemical properties. Small changes in the local geometry of such molecules (from cis to trans) can lead to significant structural differences. This work presents the results of a study of cyclo(l-Cys-d-Cys), a dipeptide comprising two cysteine molecules in opposite chiral configurations, with the functional groups situated at both sides of the diketopiperazine ring. X-ray diffraction (XRD) experiment revealed that the molecule crystallises in the $P$-1 space group, which includes the centre of inversion. The IR and Raman vibrational spectra of the molecule were acquired and interpreted in terms of the potential energy distribution (PED) according to the results of density functional theory (DFT) calculations. The DFT-assisted analysis of energy frameworks for the hydrogen bond network within molecular crystals was performed to support the interpretation of X-ray structural data. The optimisation of the computational model based on three-molecule geometry sections from the crystallographic structure, selected to appropriately reflect the intermolecular interactions responsible for the formation of 1D molecular tapes in cyclo(l-Cys-d-Cys) crystal, allowed for better correspondence between theoretical and experimental vibrational spectra. This work can be considered the first complete structural characterisation of cyclo(l-Cys-d-Cys), complemented via vibrational spectroscopy results with full band assignment aided with the use of the DFT method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Integrating New Arctic Plant Functional Types in a Land Surface Model Using Above- and Belowground Field Observations: Modeling Archive

This Modeling Archive is in support of an NGEE Arctic publication "Integrating New Arctic Plant Functional Types in a Land Surface Model Using Above- and Belowground Field Observations". We used field observations of biomass and leaf traits (Salmon et al., 2019b) across a gradient of plant communities on the Seward Peninsula in northwest Alaska (Breen et al., 2020; Iversen et al., 2017) to replace the original ELM configuration with nine, arctic-specific PFTs. Original arctic PFTs in the model were (1) broadleaf deciduous boreal shrub and (2) C3 arctic grass. New PFTs were (1) lichen, (2) bryophyte, (3) evergreen dwarf shrub, (4) deciduous dwarf shrub, (5) deciduous low shrub, (6) deciduous low to tall shrub, (7) alder shrub, (8) forb, and (9) graminoid. New PFTs were parameterized and evaluated using site-level trait and biomass measurements (Salmon et al., 2019b), root C:N ratios and rooting depth patterns (Salmon et al., 2019c), and root biomass (Salmon et al., 2020). This archive contains forcing data and model output from ELM simulations conducted at the Kougarok Hillslope site (Kougarok Road Mile Marker 64). Simulations were conducted for the Kougarok Hillslope site using meteorological driving data from the Scenarios Network for Alaska and Arctic Planning (SNAP) downscaled climate projection dataset using NCAR-CCSM forcing (Bieniek et al., 2020 dataset; Walsh et al., 2018). The archive includes three versions of model simulations representing a progression from the original model configuration to an Arctic-specific configuration (see Output section below). Simulation 1 used grid cell data from a global E3SM configuration, including the fractional area of E3SM PFTs assigned to the grid cell containing the Kougarok Hillslope site in global simulations. This simulation did not distinguish between different plant communities on the Kougarok Hillslope, but instead used a single point simulation to represent the entire area. Simulation 2 used default E3SM PFT definitions combined with adjusted depth to bedrock for plant communities with shallow rocky layers to represent the role of abiotic soil factors in driving site differences (based on depth measurements of Iversen et al., 2019a), and adjusted the relative areas of the broadleaf deciduous boreal shrub and C3 arctic grass PFTs to reflect the observed spatial coverage of shrub and non-shrub PFTs across Kougarok Hillslope plant communities. Simulation 3 used the new arctic PFT definitions and parameterizations based on the vegetation types present at the site, along with the adjusted soil depths used in Simulation 2. Included are *.pdf, *.nc (NetCDF), *tar.gz, *.py, and *.bash files. We would like to thank Mary's Igloo Native Corporation for allowing us to perform this research on their land and giving us the opportunity to share this research with their community. Thanks to Shawn Serbin and Alistair Rogers for helpful discussions. Holly Vander Stel, Joanne Childs, and Stan Wullschleger helped with collection of field data. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Spaceborne Remote Sensing of Aerosol Type: Global Distribution, Model Evaluation and Translation into Chemical Speciation

It is essential to evaluate and refine aerosol classification methods applied to passive satellite remote sensing. We have developed an aerosol classification algorithm (called Specified Clustering and Mahalanobis Classification, SCMC) that assigns an aerosol type to multi-parameter retrievals by spaceborne, airborne or ground-based passive remote sensing instruments [1]. The aerosol types identified by our scheme are pure dust, polluted dust, urban-industrialdeveloped economy, urban-industrialdeveloping economy, dark biomass smoke, light biomass smoke and pure marine. We apply the SCMC method to inversions from the ground-based AErosol RObotic NETwork (AERONET [2]) and retrievals from the space-borne Polarization and Directionality of Earths Reflectances instrument (POLDER, [3]). The POLDER retrievals that we use differ from the standard POLDER retrievals [4] as they make full use of multi-angle, multispectral polarimetric data [5]. We analyze agreement in the aerosol types inferred from both AERONET and POLDER and evaluate GEOS-Chem [6] simulations over the globe. Finally, we use in-situ observations from the SEAC4RS airborne field experiment to bridge the gap between remote sensing-inferred qualitative SCMC aerosol types and their corresponding quantitative chemical speciation. We apply the SCMC method to airborne in-situ observations from the NASA Langley Aerosol Research Group Experiment (LARGE, [7]) and the Differential Aerosol Sizing and Hygroscopicity Spectrometer Probe (DASH-SP, [8]) instruments; we then relate each coarsely defined SCMC type to a sum of percentage of individual aerosol species, using in-situ observations from the Particle Analysis by Laser Mass Spectrometry (PALMS, [9]), the Soluble Acidic Gases and Aerosol (SAGA, [10]), and the High - Resolution Time - of - Flight Aerosol Mass Spectrometer (HR ToF AMS, [11]).

airborne↗

Thermal Cooling Water Datasets for Electric Sector Modeling

This spreadsheet contains data inputs associated with representations of water (i.e., use, supply, costs) for thermo-electric based production. Values in this spreadsheet have been used to support multiple transmission-related planning studies, using models such as Regional Energy Deployment System Model (ReEDS). More information about associated studies can be found in Miara et al., 2019 (DOI: 10.1021/acs.est.9b03037); Cohen et al., 2022 (DOI: 10.1016/j.apenergy.2022.119193); and Cohen et al., 2024 (DOI TBD). Within these transmission-related studies, the values present in this spreadsheet are assigned for simulation of both existing units as well as new capacity build-outs. A summary of worksheets' content as well as associated sources are captured below.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Verifying LLM generative agents reflect human behavior in contested information environments to effectively simulate disinformation campaigns (Proteus)

Disinformation poses a significant and evolving threat to today’s online environment. Individuals encounter challenges in detecting disinformation, subsequently influencing their behavior and decision-making processes. Our research examines the potential use of large language model (LLM) generative agents (LGAs) to replicate human behavior to better understand how disinformation is spread in online environments. Using human subjects research, we first investigate how personality traits, individual differences, and demographic factors relate to decision-making in simulated online disinformation environments. Then, we examine whether LGAs can effectively replicate human responses in the same simulated online environments when assigned personality traits, demographic characteristics and behavioral attributes. Our findings indicate that LGAs can align with human decisions in these scenarios; however, alignment is contingent upon scenario context, persona settings and LLM selection. Results provide valuable insights for methodology refinement in future research and in utilizing LGAs to model complex national security challenges such as disinformation campaigns.

97 MATHEMATICS AND COMPUTING↗

Half-ice, half-fire-driven ultranarrow phase crossover in one-dimensional decorated 𝑞-state Potts ferrimagnets: An AI-co-led exploration

OpenAI’s reasoning model o3-mini-high was used to carry out an exact analytic study of one-dimensional ferrimagnetic site- and bond-decorated 𝑞-state Potts models. We demonstrate that the finite-temperature ultranarrow phase crossover (UNPC), driven by a hidden “half-ice, half-fire” state recently discovered in the 𝑞=2 case (Ising model), persists for 𝑞>2. Moreover, we identify unique features for 𝑞>2, including the dome structure in the field-temperature phase diagram, and for large 𝑞 a secondary high-temperature UNPC to the fully disordered paramagnetic state. As the UNPC quickly approaches a genuine transition by enhancing 𝐽, the interaction between the backbone spins, two distinct behaviors emerge: In the site-decorated Potts model, 𝑇 0 is independent of 𝐽 and thus remains unchanged (Type-I UNPC), and in the bond-decorated Potts model with 𝑞>2, 𝑇 0 depends on 𝐽 and quickly shifts toward a finite temperature as 𝐽 increases (Type-II UNPC). These results establish a versatile framework for engineering controlled fast state-flipping switches in low-dimensional systems. Our nine-dan artificial intelligence (AI)-contribution framework assigns AI the meritorious status of AI-co-led discovery in this work.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Coexisting normal and intruder configurations in 32 Mg

Situated in the so-called “island of inversion,” the nucleus 32 Mg is considered as an archetypal example of the disappearance of magicity at N = 20. We report on high statistics in-beam spectroscopy of 32 Mg with a unique approach, in that two direct reaction probes with different sensitivities to the underlying nuclear structure are employed at the same time. More specifically, states in 32 Mg were populated by knockout reactions starting from 33 Mg and 34 Si, lying inside and outside the island of inversion, respectively. The momentum distributions of the reaction residues and the cross sections leading to the individual final states were confronted with eikonal-based reaction calculations, yielding a significantly updated level scheme for 32 Mg and spin-parity assignments. By fully exploiting observables obtained in this measurement, a variety of structures coexisting in 32 Mg was unraveled. Comparisons with theoretical predictions based on shell-model overlaps allowed for clear discrimination between different structural models, revealing that the complete theoretical description of this key nucleus is yet to be achieved.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Modeling and Calibration of Supplier Selection Problem in Freight Agent-Based Simulations

Freight transportation modeling often struggles with data limitations, especially in accurately representing complex supplier selection processes and their impact on network flows. This research addresses this critical gap by developing a large-scale, calibrated agent-based model for supplier selection, complemented by a probabilistic heuristic for international shipments. Our approach integrates trade relationships between industry sectors, transportation costs, and a supplier-rating model adapted from existing literature. The model’s core objective is to minimize the discrepancy between modeled and observed commodity flows while ensuring a close match to regional shipping distance distributions. Implemented and tested across four major U.S. metropolitan areas—Atlanta, Chicago, Dallas–Fort Worth, and Los Angeles—the model demonstrates high fidelity in replicating observed freight patterns. Key findings reveal consistent alignment with national shipping distance trends and highlight significant spatial variations in commodity trade assignments and demand across the study regions. This behaviorally informed and transport-sensitive framework is designed to approximate real-world decision making, providing a robust tool for policymakers and planners to evaluate targeted interventions, assess infrastructure investments, and enhance supply chain resilience in the face of disruptions.

Ismael, Abdelrahman (ORCID:0000000303712110)↗

Composites of (C4F)n and (CF)n Synthesized by Uncatalyzed Fluorination of Graphite

A new solid-state 19F magic-angle spinning NMR signal at an isotropic 19F chemical shift of −53 ppm is measured from graphite fluoride synthesized by reaction of graphite with F2 at temperatures above 750 K with no catalyst. Two-dimensional NMR suggests the −53 ppm 19F NMR signal originates from covalent fluoromethanetriyl groups belonging to ordered (CyF)n bulk domains composited with the major (CF)n domains. Quantitative 19F and 13C NMR find y=4.32±0.64. DFT calculations of NMR chemical shifts for unsaturated fluorographene models show that a (C4F)n phase with fluorine bound covalently to a single side of the carbon layer best explains the observed NMR chemical shifts. We assign the new phase to this (C4F)n structure, which constitutes up to 15% of the carbon in our graphite fluoride composites. The (C4F)n content of the composite affects bulk electrochemical properties in a manner similar to graphite fluorides produced by conventional, catalyzed fluorination processes.

Walder, Brennan J. (ORCID:0000000274539143)↗

Optimum coherent imaging of a limited field of view in the presence of angular and aperture noise

The question of image distribution reconstruction for coherent illumination of an object located in the aperture far zone is considered from first principles without postulating any particular optical spread function. The object function is mathematically modeled as a complex random function of angular coordinates, and it is assumed that the object distribution of interest is angularly limited to a certain a priori assigned field of view (FOV). A linear reconstruction procedure that is uniformly optimal in the FOV is established by using the methods of statistical estimation. Two special cases are examined: imaging a limited sector of a wide-angle random scene and objects in the FOV immersed in a wide-angle background of angular noise. It is noted that the domain of application of the reconstruction method is restricted to microwave frequencies.

Borgiotti, G. V.↗

The dynamics and control of large flexible space structures, 8

A development of the in plane open loop rotational equations of motion for the proposed Spacecraft Control Laboratory Experiment (SCOLE) in orbit configuration is presented based on an Eulerian formulation. The mast is considered to be a flexible beam connected to the (rigid) shuttle and the reflector. Frequencies and mode shapes are obtained for the mast vibrational appendage modes (assumed to be decoupled) for different boundary conditions based on continuum approaches and also preliminary results are obtained using a finite element representation of the mast reflector system. The linearized rotational in plane equation is characterized by periodic coefficients and open loop system stability can be examined with an application of the Floquet theorem. Numerical results are presented to illustrate the potential instability associated with actuator time delays even for delays which represent only a small fraction of the natural period of oscillation of the modes contained in the open loop model of the system. When plant and measurement noise effects are added to the previously designed deterministic model of the hoop column system, it is seen that both the system transient and steady state performance are degraded. Mission requirements can be satisfied by appropriate assignment of cost function weighting elements and changes in the ratio of plant noise to measurement noise.

Bainum, P. M.↗

Analysis of a parallelized nonlinear elliptic boundary value problem solver with application to reacting flows

A parallelized finite difference code based on the Newton method for systems of nonlinear elliptic boundary value problems in two dimensions is analyzed in terms of computational complexity and parallel efficiency. An approximate cost function depending on 15 dimensionless parameters is derived for algorithms based on stripwise and boxwise decompositions of the domain and a one-to-one assignment of the strip or box subdomains to processors. The sensitivity of the cost functions to the parameters is explored in regions of parameter space corresponding to model small-order systems with inexpensive function evaluations and also a coupled system of nineteen equations with very expensive function evaluations. The algorithm was implemented on the Intel Hypercube, and some experimental results for the model problems with stripwise decompositions are presented and compared with the theory. In the context of computational combustion problems, multiprocessors of either message-passing or shared-memory type may be employed with stripwise decompositions to realize speedup of O(n), where n is mesh resolution in one direction, for reasonable n.

Keyes, David E.↗

LSENS, a general chemical kinetics and sensitivity analysis code for gas-phase reactions: User's guide

A general chemical kinetics and sensitivity analysis code for complex, homogeneous, gas-phase reactions is described. The main features of the code, LSENS, are its flexibility, efficiency and convenience in treating many different chemical reaction models. The models include static system, steady, one-dimensional, inviscid flow, shock initiated reaction, and a perfectly stirred reactor. In addition, equilibrium computations can be performed for several assigned states. An implicit numerical integration method, which works efficiently for the extremes of very fast and very slow reaction, is used for solving the 'stiff' differential equation systems that arise in chemical kinetics. For static reactions, sensitivity coefficients of all dependent variables and their temporal derivatives with respect to the initial values of dependent variables and/or the rate coefficient parameters can be computed. This paper presents descriptions of the code and its usage, and includes several illustrative example problems.

Radhakrishnan, Krishnan↗

Supersonic solutions of the solar-wind equations

We re-examine the inviscid solar-wind equations with heat conduction from below, and establish a fundamentally new approach for finding stellar solutions. Although the problem is fourth order, only two independent integration constants can be assigned, since two boundary conditions that are required to specify well-behaved supersonic solutions determine the values of the other two constants. The solar-wind-model of Noble and Scarf are essentially accurate for practical purposes, but in a fundamental sense they are not self-consistent. At the supersonic level, the ratio of thermal energy to gravitational potential, (kTr/GMm)(sub s), must lie in a narrow range, between 0.4375 and about 0.40, to permit well-behaved solutions for ionized hydrogen. For a supersonic solution this ratio uniquely determines the constants A and epsilon, which in turn govern not only the escape flux and the energy flux per particle but also T'(lambda approaches 0), the temperature gradient at infinity. It is very difficult to find solutions by trial and error, without employing T'(0) as a guide to the iteration of A and epsilon, because not only must (kTr/GMm)(sub s) be chosen within the acceptable range but then either A or epsilon must be guessed with phenomenal accuracy. Otherwise the numerical integration of temperature and expansion velocity do not yield acceptable values at infinity.

Chamberlain, Joseph W.↗

Constructing the 'Best' Reliability Data for the Job - Developing Generic Reliability Data from Alternative Sources Early in a Product's Development Phase

Reliability practitioners advocate getting reliability involved early in a product development process. However, when assigned to estimate or assess the (potential) reliability of a product or system early in the design and development phase, they are faced with lack of reasonable models or methods for useful reliability estimation. Developing specific data is costly and time consuming. Instead, analysts rely on available data to assess reliability. Finding data relevant to the specific use and environment for any project is difficult, if not impossible. Instead, analysts attempt to develop the "best" or composite analog data to support the assessments. Industries, consortia and vendors across many areas have spent decades collecting, analyzing and tabulating fielded item and component reliability performance in terms of observed failures and operational use. This data resource provides a huge compendium of information for potential use, but can also be compartmented by industry, difficult to find out about, access, or manipulate. One method used incorporates processes for reviewing these existing data sources and identifying the available information based on similar equipment, then using that generic data to derive an analog composite. Dissimilarities in equipment descriptions, environment of intended use, quality and even failure modes impact the "best" data incorporated in an analog composite. Once developed, this composite analog data provides a "better" representation of the reliability of the equipment or component. It can be used to support early risk or reliability trade studies, or analytical models to establish the predicted reliability data points. It also establishes a baseline prior that may updated based on test data or observed operational constraints and failures, i.e., using Bayesian techniques. This tutorial presents a descriptive compilation of historical data sources across numerous industries and disciplines, along with examples of contents and data characteristics. It then presents methods for combining failure information from different sources and mathematical use of this data in early reliability estimation and analyses.

Kleinhammer, Roger K.↗

Cross Recurrence Analysis as a Measure of Pilots' Coordination Strategy

When solving problems, multi-person airline crews can choose whether to work together, or to address different aspects of a situation with a divide and conquer strategy. Knowing which of these strategies is most effective may help airlines develop better procedures and training. This paper concentrates on joint attention as a measure of crew coordination. We report results obtained by applying cross recurrence analysis to eye movement data from two-person crews, collected in a flight simulator experiment. The analysis shows that crews exhibit coordinated gaze roughly 16th of the time, with a tendency for the captain to lead the first officers visual attention. The degree to which crews coordinate their gaze is not significantly correlated with performance ratings assigned by instructors; further research questions and approaches are discussed.

non-linear models↗

Evaluation of Mesoscale Model Phenomenological Verification Techniques

Forecasters at the Spaceflight Meteorology Group, 45th Weather Squadron, and National Weather Service in Melbourne, FL use mesoscale numerical weather prediction model output in creating their operational forecasts. These models aid in forecasting weather phenomena that could compromise the safety of launch, landing, and daily ground operations and must produce reasonable weather forecasts in order for their output to be useful in operations. Considering the importance of model forecasts to operations, their accuracy in forecasting critical weather phenomena must be verified to determine their usefulness. The currently-used traditional verification techniques involve an objective point-by-point comparison of model output and observations valid at the same time and location. The resulting statistics can unfairly penalize high-resolution models that make realistic forecasts of a certain phenomena, but are offset from the observations in small time and/or space increments. Manual subjective verification can provide a more valid representation of model performance, but is time-consuming and prone to personal biases. An objective technique that verifies specific meteorological phenomena, much in the way a human would in a subjective evaluation, would likely produce a more realistic assessment of model performance. Such techniques are being developed in the research community. The Applied Meteorology Unit (AMU) was tasked to conduct a literature search to identify phenomenological verification techniques being developed, determine if any are ready to use operationally, and outline the steps needed to implement any operationally-ready techniques into the Advanced Weather Information Processing System (AWIPS). The AMU conducted a search of all literature on the topic of phenomenological-based mesoscale model verification techniques and found 10 different techniques in various stages of development. Six of the techniques were developed to verify precipitation forecasts, one to verify sea breeze forecasts, and three were capable of verifying several phenomena. The AMU also determined the feasibility of transitioning each technique into operations and rated the operational capability of each technique on a subjective 1-10 scale: (1) 1 indicates that the technique is only in the initial stages of development, (2) 2-5 indicates that the technique is still undergoing modifications and is not ready for operations, (3) 6-8 indicates a higher probability of integrating the technique into AWIPS with code modifications, and (4) 9-10 indicates that the technique was created for AWIPS and is ready for implementation. Eight of the techniques were assigned a rating of 5 or below. The other two received ratings of 6 and 7, and none of the techniques a rating of 9-10. At the current time, there are no phenomenological model verification techniques ready for operational use. However, several of the techniques described in this report may become viable techniques in the future and should be monitored for updates in the literature. The desire to use a phenomenological verification technique is widespread in the modeling community, and it is likely that other techniques besides those described herein are being developed, but the work has not yet been published. Therefore, the AMIU recommends that the literature continue to be monitored for updates to the techniques described in this report and for new techniques being developed whose results have not yet been published. 111

Lambert, Winifred↗