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At least 1,333 records · Page 74

A study of the effects of macrosegregation and buoyancy-driven flow in binary mixture solidification

A generalized anisotropic porous medium approach is developed for modelling the flow, heat and mass transport processes during binary mixture solidification. Transient predictions are obtained using FEM, coupled with an implicit time-marching scheme, for solidification inside a two-dimensional rectangular enclosure. A parametric study focusing attention on the effects of solutal buoyancy and thermal buoyancy is presented. It is observed that three parameters, namely the thermal Rayleigh number, the solutal Rayleigh number, and the relative density change parameter, significantly alter the flow fields in the liquid and the mushy regions. Depending upon the nature of these flow fields, the solute enrichment caused by macrosegregation may occur in the top or the bottom region of the enclosure.

Sinha, S. K.↗

Numerical simulation of heat and mass transport during space crystal growth with MEPHISTO

The MEPHISTO space experiments are collaborative United States and French investigations aimed at understanding the fundamentals of crystal growth. Microgravity experiments were conducted aboard the USMP-1 and -2 missions on STS-52 and 62 in October 1992 and March 1994 respectively. MEPHISTO is a French designed and built Bridgman type furnace which uses the Seebeck technique to monitor the solid/liquid interface temperature and Peltier pulsing to mark the location and shape of the solid/liquid interface. In this paper the Bridgman growth of Sn-Bi and Bi-Sn under terrestrial and microgravity conditions is modeled using the finite element code, FIDAP*. The numerical model considers fully coupled heat and mass transport, fluid motion and solid/liquid phase changes in the crystal growth process. The primary goals of this work are: to provide a quantitative study of the thermal buoyancy-induced convection in the melt for the two flight experiments; to compare the vertical and horizontal growth configurations and systematically evaluate the effects of various gravity levels on the solute segregation. Numerical results of the vertical and horizontal Bridgman growth configurations are presented.

Yao, Minwu↗

Carbon Dioxide Clouds at High Altitude in the Tropics and in an Early Dense Martian Atmosphere

We use a time dependent, microphysical cloud model to study the formation of carbon dioxide clouds in the Martian atmosphere. Laboratory studies by Glandor et al. show that high critical supersaturations are required for cloud particle nucleation and that surface kinetic growth is not limited. These conditions, which are similar to those for cirrus clouds on Earth, lead to the formation of carbon dioxide ice particles with radii greater than 500 micrometers and concentrations of less than 0.1 cm(exp -3) for typical atmospheric conditions. Within the current Martian atmosphere, CO2 cloud formation is possible at the poles during winter and at high altitudes in the tropics during periods of increased atmospheric dust loading. In both cases, temperature perturbations of several degrees below the CO2 saturation temperature are required to nucleate new cloud particles suggesting that dynamical processes are the most common initiators of carbon dioxide clouds rather than diabatic cooling. The microphysical cloud model, coupled to a two-stream radiative transfer model, is used to reexamine the impact of CO2 clouds on the surface temperature within a dense CO2 atmosphere. The formation of carbon dioxide clouds leads to a warmer surface than what would be expected for clear sky conditions. The amount of warming is sensitive to the presence of dust and water vapor in the atmosphere, both of which act to dampen cloud effects. The radiative warming associated with cloud formation, as well as latent heating, work to dissipate the clouds when present. Thus, clouds never last for periods much longer than several days, limiting their overall effectiveness for warming the surface. The time average cloud optical depth is approximately unity leading to a 5-10 K warming, depending on the surface pressure. However, the surface temperature does not rise about the freezing point of liquid water even for pressures as high as 5 bars, at a solar luminosity of 75% the current value.

Colaprete, Anthony↗

Building a virtual planet

The virtual Planetary Laboratory (VPL) is a recently funded 5-yr project, which seeks toimprove our understanding of the range of plausible environments and the likely signatures for life on extrasolar terrestrial planets. To achieve these goals we are developing a suite of innovative modeling tools to simulate the environments and spectra of extrasolar planets. The core of the VPL IS a coupled radiative transfer/climate/chemistry model, which is augmented by interchangeable modules which characterize geological, exogenic, atmospheric escape, and life processes. The VPL is validated using data derived from terrestrial planets within our own solar system. The VPL will be used to explore the plausible range of atmospheric composittions and globally averaged spectra for extrasolar planets and for early Earth, and will improve our understanding of the effect of life on a planet's atmospheric spectrum and composition. The models will also be used to create a comprehensive spectral catalog to provide recommendations on the optimum wavelength range, spectral resolution, and instrument sensitivity required to characterize extrasolar terrestrial planets. Although developed by our team, the VPL is envisioned to be a comprehensive and flexible tool, which can be collaboratively used by the broader planetary science and astrobiology communities. This presentation will describe the project concept, the tasks involved, and will outline current progress to date. This work is funded by the NASA Astrobiology Institute.

astrobiology↗

TPSAS-NF1676L-29139-DND

The Arctic has been warming at a rate outpacing globally-averaged warming by 2-3 times, a phenomenon known as "Arctic Amplification" (AA). AA is evident in observations of Arctic surface temperature over the last century as well as in model predictions. The accuracy of model predictions is crucial to determine our response to climate change, as Arctic changes have consequences for the atmospheric circulation, sea level rise, and the carbon cycle. Unfortunately, models show a wide range of possible futures and intermodel spread in projections of Arctic temperature is larger than for any other region: a 2°C global temperature increase- the limit set by the Paris Climate Agreement- would lead to an Arctic temperature change between 3-7°C according to Coupled Model Intercomparison 5 (CMIP5) models. This intermodel spread represents a key deficiency in the understanding of Arctic feedback processes and how changes in various physical parameters (e.g. sea ice cover, clouds, heat transport and surface fluxes) affect the temperature response. Using a process-oriented decomposition of the simulate Arctic surface energy budget, we attribute the largest contribution to the CMIP5 intermodel spead in projected Arctic warming to the Barents-Kara Sea region. Our results reveal that the increasing seasonal fluxing of ocean heat content is a significant part of the intermodel spread in AA and relates strongly to change in surface turbulent fluxes. Our results indicate that if we are to significantly reduce the intermodel spread in projected AA we must focus on understanding the behavior and physical processes that drive surface energy flows in the B-K sea region.

Patrick Taylor↗

Thermal Electron Heat Fluxes Associated with Precipitated Auroral Electrons During the Saint Patrick's Days 2013 and 2015 Geomagnetic Storms

The Rice Convection Model-Equilibrium (RCM-E) and SuperThermal Electron Transport (STET) are combined to investigate electron heat flux formation in the region of the diffuse aurora for the geomagnetic storms of 17 March 2013 and 17 March 2015. The primary electron precipitation into the atmosphere resulting from wave particle scattering in the magnetosphere are simulated by the magnetically and electrically RCM-E during these two geomagnetic storms. The primary precipitating electron fluxes are modified by the STET model by taking into account atmospheric backscatter processes. The modified electron energy fluxes and their mean energies are coupled to the STET code to calculate electron thermal fluxes associated with diffuse aurora on a global scale. We use the simulated heat flux to estimate electron temperatures at the upper ionospheric altitudes and compare them with corresponding observations from the Defense Meteorological Satellite Program satellite.

George V. Khazanov↗

Recent Developments in SHERPA

Some recent QCD-related developments in the SHERPA event generator are presented. In the past decades, event generators such as PYTHIA [1, 2] and HERWIG [3, 4] have been central for nearly all physics analyses at particle physics experiments at the high-energy frontier. This will also hold true at the LHC, where a large number of interesting signals for new particles or new phenomena (the Higgs boson or any other manifestation of the mechanism behind electro-weak symmetry breaking, supersymmetry, extra dimensions etc.) is hampered by a plethora of severe, sometimes overwhelming backgrounds. Nearly all of them are largely influenced by QCD. Therefore it seems fair to say that the success of the LHC in finding new physics may very well depend on a deep and detailed understanding of old physics, like QCD. Examples for this include, among others, the central-jet veto for the vector boson fusion channel for Higgs production or topologies, where gauge bosons emerge in association with many jets, a background for many search channels. In a reflection on increased needs by the experimental community, aiming at higher precision, incorporation of new physics models and so on, the work horses of old have undergone serious renovation efforts, resulting in new, improved versions of the respective codes, namely PYTHIA8 [5] and HERWIG++ [6]. In addition a completely new code, SHERPA [7], has been constructed and is in the process of maturing. The status of this code is the topic of this contribution. SHERPA's hallmark property is the inclusion of higher-order tree-level QCD contributions, leading to an improved modelling of jet production. They are introduced through a full-fledged matrix element generator, AMEGIC++ [8], which is capable of generating matrix elements and corresponding phase space mappings for processes with multi-particle final states in various models, including the Standard Model, anomalous gauge triple and quadruple couplings according to [9, 10], the Minimal Supersymmetric Standard Model with Feynman rules from [11], the ADD-model of extra dimensions [12, 13], and a model with an extra U(1) singlet coupling to the Higgs boson only [14]. The code has been thoroughly tested and validated [15]. This code, however, is limited, especially in the treatment of many ({ge} 6) external QCD particles. Therefore, in the near future, SHERPA will incorporate another, new matrix element generator, COMIX, which is based on Berends-Giele recursion relations [16] and color-dressing [17] rather than color-ordering. In Tabs. 1 and 2 some example cross sections for gg {yields} ng at fixed energies and pp {yields} b{bar b} + n jets obtained with this program are exhibited and compared to those from other programs. In addition, concerning the calculation of higher-order matrix elements and cross sections, there have been first steps towards an automation of such calculations at truly next-to leading order accuracy. They manifest themselves in the implementation of a procedure [19] to fully automatically construct and evaluate Catani-Seymour dipole subtraction terms [20] for the real part of such NLO calculations. The results from the matrix element calculations are merged with the subsequent parton shower through the formalism of [21, 22]. The results of its implementation in SHERPA [23] has recently been compared with other algorithms [24]. Although there remains some dispute about the theoretical equivalence of the different approaches, the overall results show satisfying agreement with each other, such that they can be used with confidence for data analysis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Composite Load Spectra for Select Space Propulsion Structural Components

Generic load models are described with multiple levels of progressive sophistication to simulate the composite (combined) load spectra (CLS) that are induced in space propulsion system components, representative of Space Shuttle Main Engines (SSME), such as transfer ducts, turbine blades and liquid oxygen (LOX) posts. These generic (coupled) models combine the deterministic models for composite load dynamic, acoustic, high-pressure and high rotational speed, etc., load simulation using statistically varying coefficients. These coefficients are then determined using advanced probabilistic simulation methods with and without strategically selected experimental data. The entire simulation process is included in a CLS computer code. Applications of the computer code to various components in conjunction with the PSAM (Probabilistic Structural Analysis Method) to perform probabilistic load evaluation and life prediction evaluations are also described to illustrate the effectiveness of the coupled model approach.

Ho, Hing W.↗

Search for Time Reversal Symmetry Violation with TREK at J-PARC (Closeout Report)

This DOE Early Career Award has enabled Dr. Michael Kohl to take on and expand his leadership roles in several projects such as TREK@J-PARC, OLYMPUS@DESY, MUSE@PSI, and in the experimental program in Hall C at Jefferson Lab. Dr. Kohl has successfully accomplished several items: (i) Preliminary results from SANE (E08-003) at Jefferson Lab: Former HU graduate student Anusha Liyanage has pursued her PhD research on SANE. Her analysis of the elastic ep scattering data has resulted in the extraction of the proton electric-to-magnetic form factor ratio from double spin asymmetries at the highest momentum transfer to date. The results are almost final and a publication is in preparation. (ii) Approval of TREK/E36 for running, preparation of simulation and analysis: the TREK experiment has been stage-II approved in fall 2013, has been mounted on the hall floor from November 2014 to April 2015, has been commissioned in April-June 2015 and is scheduled to run in fall 2015. The group has contributed significantly with simulations and magnetic field map calculations, has investigated the sensitivity of TREK to new light neutral particles, and contributed substantially to the mounting and commissioning of the experiment. (iii) Running of OLYMPUS and analysis: Under Dr. Kohl's leadership as spokesman, the OLYMPUS experiment has completed data taking beginning of 2013; calibrations and analysis have been well underway, with results to be expected in the course of 2015. (iv) Operation of GEM detectors at OLYMPUS and MUSE: The GEM telescopes built for OLYMPUS luminosity monitoring with forward-angle ep elastic scattering have been operated successfully, have meanwhile been relocated to PSI, and have been re-commissioned as beam particle trackers for the PSI secondary beams for MUSE. (v) Trained and prepared postdocs and graduate students for their future careers. Two postdocs from Dr. Kohl's group (Dr. Juergen Diefenbach and Dr. Peter Monaghan) have found permanent academic positions. Two former graduate students of the group have graduated and received their PhD degrees in nuclear physics (Dr. Anusha Liyanage and Dr. Ozgur Ates). In particular, this award has enabled Dr. Kohl to pursue the TREK project (Time Reversal Experiment with Kaons) at J-PARC, which he has been leading and advancing as International Spokesperson. Originally proposed as a search for time reversal symmetry violation, the project has evolved into a precision test of lepton flavor universality in the Standard Model along with sensitive searches for physics beyond the Standard Model through a possible discovery of new particles such as a sterile neutrino or a neutral gauge boson from the hidden sector in the mass region up to 300 MeV/c2. Experiment TREK/E36, first proposed in 2010, has been mounted between November 2014 and April 2015, and commissioning with beam has been started in April 2015, with production running anticipated in early summer and late fall 2015. It uses the apparatus from the previous KEK/E-246 experiment with partial upgrades to measure the ratio of decay widths of leptonic two-body decays of the charged kaon to µν and eν, respectively, which is highly sensitive to the ratio of electromagnetic charged lepton couplings and possible new physics processes that could differentiate between μ and e, hence breaking lepton flavor universality of the Standard Model. Through the searches for neutral massive particles, TREK/E36 can severely constrain any new physics scenarios designed to explain the proton radius puzzle.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Finite Element Simulation and Optimization of Gas-Quenching Process for Tool Steels

Various gas-quenching processes, including marquenching, were investigated to optimize gas-quenching processes in terms of distortion and hardness by means of numerical and experimental analyses. The temperature, microstructure, hardness, and distortion during the various gas-quenching processes of a tool steel block were simulated using a finite element method based on a coupled thermo-metallurgical–mechanical model. The predicted temperature, hardness, and distortion agreed well with the experimental data. The tool steel block (200 × 150 × 70 mm{sup 3}) quenched under 10 bar pressure of nitrogen gas (Case 2) had higher hardness due to the higher martensite fraction and larger distortion owing to the higher thermal stress induced by faster cooling, compared to the block quenched under 2 bar pressure of nitrogen gas (Case 1). The tool steel block marquenched under 10 bar pressure of nitrogen gas interrupted by isothermal holding at 500 °C (Case 3) had 30% smaller distortion with a negligible loss of hardness compared to Case 2. Furthermore, the simulation results could provide an optimized process condition to minimize distortion of the gas-quenched tool steel block while satisfying the hardness requirement.

36 MATERIALS SCIENCE↗

Fiducial and differential cross-section measurements of electroweak $W\gamma jj$ production in $pp$ collisions at $\sqrt{s} = 13$ TeV with the ATLAS detector

The observation of the electroweak production of a W boson and a photon in association with two jets, using pp collision data at the Large Hadron Collider at a centre of mass energy of $\sqrt{s} = 13$ TeV, is reported. The data were recorded by the ATLAS experiment from 2015 to 2018 and correspond to an integrated luminosity of 140 fb -1 . This process is sensitive to the quartic gauge boson couplings via the vector boson scattering mechanism and provides a stringent test of the electroweak sector of the Standard Model. Events are selected if they contain one electron or muon, missing transverse momentum, at least one photon, and two jets. Multivariate techniques are used to distinguish the electroweak $W\gamma jj$ process from irreducible background processes. The observed significance of the electroweak $W\gamma jj$ process is well above six standard deviations, compared to an expected significance of 6.3 standard deviations. Fiducial and differential cross sections are measured in a fiducial phase space close to the detector acceptance, which are in reasonable agreement with leading order Standard Model predictions from MADGRAPH5+PYTHIA8 and SHERPA. The results are used to constrain new physics effects in the context of an effective field theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Kinetically constrained ring-polymer molecular dynamics for non-adiabatic chemical reactions

We extend ring-polymer molecular dynamics (RPMD) to allow for the direct simulation of general, electronically non-adiabatic chemical processes. The kinetically constrained (KC) RPMD method uses the imaginary-time path-integral representation in the set of nuclear coordinates and electronic states to provide continuous equations of motion that describe the quantized, electronically non-adiabatic dynamics of the system. KC-RPMD preserves the favorable properties of the usual RPMD formulation in the position representation, including rigorous detailed balance, time-reversal symmetry, and invariance of reaction rate calculations to the choice of dividing surface. However, the new method overcomes significant shortcomings of position-representation RPMD by enabling the description of non-adiabatic transitions between states associated with general, many-electron wavefunctions and by accurately describing deep-tunneling processes across asymmetric barriers. We demonstrate that KC-RPMD yields excellent numerical results for a range of model systems, including a simple avoided-crossing reaction and condensed-phase electron-transfer reactions across multiple regimes for the electronic coupling and thermodynamic driving force.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multivariable degradation modeling and life prediction using multivariate fractional Brownian motion

In system prognostics and health management, multivariable degradation models have been widely developed to predict the life of complex systems using degradation data of multiple Performance Characteristics (PCs). Recent studies have detected a Long-Term Memory (LTM) effect among the degradation process of various PCs, implying a strong coupling phenomenon between the future degradation behavior and historical degradation trajectory. Although the LTM has been widely integrated into single-PC-based degradation modeling, it has not been considered in multi-PC-based scenarios. To capture LTM among multiple PCs, this article proposes a novel LTM-integrated Multivariate Degradation Model (MDM) for system life prediction based on multivariate fractional Brownian motion, which simultaneously incorporates the cross-correlation among different PCs. To estimate parameters of the LTM-integrated MDM, a maximum likelihood method is developed. Here, two likelihood-ratio hypothesis tests are developed to test the existence of the overall and individual LTM effect among multiple PCs. Both simulation studies and physical experiments on the performance degradation of solar energy conversion and storage devices are conducted to validate the proposed model. Results reveal that the proposed LTM-integrated MDM significantly outperforms existing MDMs in life prediction, while the lifetime uncertainty is heavily underestimated by those traditional approaches that neglect the LTM.

42 ENGINEERING↗

Model Data Archive Associated with Manuscript "Fire-altered Carbon Pools Create Disturbance Memory in Stream Dissolved Organic Carbon"

This data package supports the publication “Fire-altered Carbon Pools Create Disturbance Memory in Stream Dissolved Organic Carbon” by Li et al. (2026). The package contains processed model inputs, configuration files, restart files, simulation outputs, scripts, and visualization products used to evaluate post-fire dissolved organic carbon (DOC) dynamics in the Naches River Watershed, Washington, USA, following the 2021 Schneider Springs Fire. The modeling workflow couples ELM-BGC, the biogeochemistry-enabled Energy Exascale Earth System Model Land Model; ATS, the Advanced Terrestrial Simulator for integrated surface-subsurface hydrology; and PFLOTRAN, a reactive transport model for multicomponent aqueous geochemistry. Together, these models simulate how wildfire-induced changes in vegetation, litter, coarse woody debris, and soil organic matter influence DOC production, transport, and reaction from burned hillslopes to stream networks. The archive includes preprocessed meteorological, geospatial, hydrologic, and biogeochemical forcing data; ELM-BGC-derived DOC source terms; ATS mesh files; PFLOTRAN reactive-transport inputs; model configuration files; spin-up and transient restart files; watershed-scale diagnostic outputs; stream concentration time series; and figures or visualization files used to inspect and reproduce key results. File types include Hierarchical Data Format 5 (HDF5) files for gridded forcing and model-coupling data, model input and configuration files for ELM-BGC, ATS, and PFLOTRAN, restart and simulation-output files generated by the modeling workflow, tabular or time-series diagnostic outputs, scripts for post-processing and figure generation, and image or visualization products associated with the manuscript. Use of the package depends on the intended task. Re-running the simulations requires the relevant modeling software, including ELM-BGC, ATS, and PFLOTRAN as ATS's geochemical engine. Inspecting outputs and reproducing figures requires Python with scientific plotting libraries such as Matplotlib, and three-dimensional model outputs may be viewed with ParaView. Geographic information system files or maps may be inspected with ArcGIS Pro or comparable GIS software. The data package is intended to enable traceability, reuse, and partial reproduction of the coupled land-to-watershed hydro-biogeochemical modeling workflow used to test how wildfire disturbance affects terrestrial carbon pools and downstream DOC dynamics.

ATS↗

Dynamic Forms: Application to Aircraft Guidance - Part 2

The paper describes a method for guiding a dynamic system through a given set of points. The paradigm is a fully automatic aircraft subject to air traffic control (ATC). The ATC provides a sequence of waypoints through which the aircraft trajectory must pass. The waypoints typically specify time, position, and velocity. The guidance problem is to synthesize a system state trajectory that satisfies both the ATC and aircraft constraints. Complications arise because the controlled process is multidimensional, multiaxis, nonlinear, highly coupled, and the state space is not flat. In addition, there is a multitude of operating modes, which may number in the hundreds. Each such mode defines a distinct state space model of the process by specifying the state space coordinatization, the partition of the controls into active controls and configuration controls, and the output map. Furthermore, mode transitions are required to be smooth. The proposed guidance algorithm is based on the inversion of the pure feedback approximation, followed by correction for the effects of zero dynamics. The paper describes the structure and major modules of the algorithm, and the performance is illustrated by several example aircraft maneuvers.

Meyer, George↗

Modeling, Simulation, and Implementation of Solar-Driven Water-Splitting Devices

An integrated cell for the solar-driven splitting of water consists of multiple functional components and couples various photoelectrochemical (PEC) processes at different length and time scales. The overall solar-to-hydrogen (STH) conversion efficiency of such a system depends on the performance and materials properties of the individual components as well as on the component integration, overall device architecture, and system operating conditions. This Review focuses on the modeling- and simulation-guided development and implementation of solar-driven water-splitting prototypes from a holistic viewpoint that explores the various interplays between the components. The underlying physics and interactions at the cell level is are reviewed and discussed, followed by an overview of the use of the cell model to provide target properties of materials and guide the design of a range of traditional and unique device architectures.

14 SOLAR ENERGY↗

Fast methods for multisite charge transfer. Processes II. Analytic nuclear gradients and nonadiabatic dynamics for cCASSCF(1,n) and cCASSCF(2n-1,n) wavefunctions

In this work we derive and implement analytic nuclear gradients and derivative couplings for a constrained complete active space self-consistent field with a small active space designed to model electron or hole transfer. Using a Lagrangian formalism, we are able to differentiate both the CASSCF energy and the constraint (which is required for smooth surfaces over a wide range of parameter space), and the resulting efficient algorithm can be immediately applied to nonadiabatic dynamics simulations of charge transfer processes. Here, we run initial surface-hopping simulations of a proton coupled electron transfer event for a phenoxyl–phenol system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microstructure prediction for Ti-22Al-25Nb in laser powder bed fusion

This work presents a physics-informed framework for predicting solidification morphology and defect susceptibility in additively manufactured Ti–22Al–25Nb across a broad processing space. The framework integrates solidification microstructure selection (SMS) analysis with a single-track defect-based printability map to establish a unified methodology linking processing parameters to both interfacial morphology and manufacturability. Thermal gradients G and solidification rates R are first computed using the Thermo-Calc Additive Manufacturing (TC-AM) module, a finite-interface-dissipation (FID) phase-field (PF) model coupled with CALPHAD method is then employed to systematically distinguish planar and dendritic regimes as functions of $G$ and $R$. By superimposing the printability map onto the morphology projections, a comprehensive process–structure framework is obtained. Across most processing conditions, the predicted microstructure is predominantly dendritic, while planar growth emerges only under selected laser power $P$ and scan speed $v$ combinations. In addition to morphology classification, the framework quantifies the dendritic area fraction and introduces a width-based morphology descriptor to characterize the spatial extent of planar/dendritic regions within the melt pool. It provides mechanistic insight into the interplay between solidification physics and defect formation, offering practical guidance for parameter selection and microstructural control in Ti–22Al–25Nb additive manufacturing (AM).

36 MATERIALS SCIENCE↗