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At least 901 records · Page 50

Topographic Effects on Radiation in the WRF Model with the Immersed Boundary Method: Implementation, Validation, and Application to Complex Terrain

Abstract Topographic effects on radiation, including both topographic shading and slope effects, are included in the Weather Research and Forecasting (WRF) Model, and here they are made compatible with the immersed boundary method (IBM). IBM is an alternative method for representing complex terrain that reduces numerical errors over sloped terrain, thus extending the range of slopes that can be represented in WRF simulations. The implementation of topographic effects on radiation is validated by comparing land surface fluxes, as well as temperature and velocity fields, between idealized WRF simulations both with and without IBM. Following validation, the topographic shading implementation is tested in a semirealistic simulation of flow over Granite Mountain, Utah, where topographic shading is known to affect downslope flow development in the evening. The horizontal grid spacing is 50 m and the vertical grid spacing is approximately 8–27 m near the surface. Such a case would fail to run in WRF with its native terrain-following coordinates because of large local slope values reaching up to 55°. Good agreement is found between modeled surface energy budget components and observations from the Mountain Terrain Atmospheric Modeling and Observations (MATERHORN) program at a location on the east slope of Granite Mountain. In addition, the model captures large spatiotemporal inhomogeneities in the surface sensible heat flux that are important for the development of thermally driven flows over complex terrain.

54 ENVIRONMENTAL SCIENCES↗

A Moving-Wave Implementation in WRF to Study the Impact of Surface Water Waves on the Atmospheric Boundary Layer

Abstract While numerous modeling studies have focused on the interaction of ocean surface waves with the atmospheric boundary layer, most employ idealized waves that are either monochromatic or synthetically generated from a theoretical wave spectrum, and the atmospheric solvers are typically incompressible. To study wind–wave coupling in real-world scenarios, a model that can simulate both realistic meteorological and wave conditions is necessary. In this paper we describe the implementation of a moving bottom boundary condition into the Weather Research and Forecasting Model for large-eddy simulation applications. We first describe the moving bottom boundary conditions within WRF’s pressure-based vertical coordinate system. We then validate our code with idealized test cases that have analytical solutions, including flow over a monochromatic wave with and without viscosity. Finally, we present results from turbulent flows over a moving monochromatic wave with different wave ages, and demonstrate satisfactory agreement of the wave growth rate with results from the literature. We also compare atmospheric stress and wind parameters from two physically equivalent cases. The first specifies a wind moving in the same direction as a propagating wave, while the second involves a stationary wave with the wind adjusted such that the wind relative to the wave is the same as in the first case. Results indicate that the velocity and Reynolds stress profiles for the two cases match, further validating the moving bottom implementation.

17 WIND ENERGY↗

Reproductive intentions among HIV-negative gay and bisexual men initiating pre-exposure prophylaxis in the Sustainable Health Center Implementation pre-exposure prophylaxis pilot study, 2014–2016

Introduction We assessed reproductive intentions and associated characteristics among men enrolled in the Sustainable Health Center Implementation pre-exposure prophylaxis (PrEP) Pilot (SHIPP) Study. Methods We analyzed baseline data from 1275 men who self-identified as gay or bisexual and participated in the SHIPP study. SHIPP was a cohort study of PrEP implementation in five community health centers in Chicago, Jackson, Philadelphia, and Washington, D.C. conducted from 2014 to 2016. Participants completed audio computer-assisted self-interviews querying intentions to have a child in the future. We estimated the association between participants’ reproductive intentions and their characteristics using Poisson regression models. Results Approximately 47% of participants indicated their intentions to have a child. Black/non-Hispanic (aPR = 1.40; 95% CI: 1.10–1.78) and other/non-Hispanic participants (aPR = 1.40; 95% CI: 1.01–1.93) were more likely to report intentions to have a child than white/non-Hispanic participants. Participants were less likely to report intentions to have children as age increased (18–29 years, reference group; 30–39 years, aPR = 0.80, 95% CI: 0.64–0.99; 40–49 years, aPR = 0.49, 95% CI: 0.33–0.72; 50+ years, aPR = 0.07, 95% CI: 0.02–0.21). Conclusions Clinicians offering PrEP to black and other/non-Hispanic gay and bisexual men should assess their reproductive intentions as family-planning counseling may be an opportunity to introduce PrEP to HIV-negative gay and bisexual men.

Immunology↗

An MPI/OpenACC implementation of a high-order electromagnetics solver with GPUDirect communication

We present performance results and an analysis of a message passing interface (MPI)/OpenACC implementation of an electromagnetic solver based on a spectral-element discontinuous Galerkin discretization of the time-dependent Maxwell equations. The OpenACC implementation covers all solution routines, including a highly tuned element-by-element operator evaluation and a GPUDirect gather–scatter kernel to effect nearest neighbor flux exchanges. Modifications are designed to make effective use of vectorization, streaming, and data management. Performance results using up to 16,384 graphics processing units of the Cray XK7 supercomputer Titan show more than 2.5× speedup over central processing unit-only performance on the same number of nodes (262,144 MPI ranks) for problem sizes of up to 6.9 billion grid points. We discuss performance-enhancement strategies and the overall potential of GPU-based computing for this class of problems.

Computer Science↗

A survey of software implementations used by application codes in the Exascale Computing Project

The US Department of Energy Office of Science and the National Nuclear Security Administration initiated the Exascale Computing Project (ECP) in 2016 to prepare mission-relevant applications and scientific software for the delivery of the exascale computers starting in 2023. The ECP currently supports 24 efforts directed at specific applications and six supporting co-design projects. These 24 application projects contain 62 application codes that are implemented in three high-level languages—C, C++, and Fortran—and use 22 combinations of graphical processing unit programming models. The most common implementation language is C++, which is used in 53 different application codes. The most common programming models across ECP applications are CUDA and Kokkos, which are employed in 15 and 14 applications, respectively. This article provides a survey of the programming languages and models used in the ECP applications codebase that will be used to achieve performance on the future exascale hardware platforms.

97 MATHEMATICS AND COMPUTING↗

Implementation of Creep-Damage Model for Concrete Fracture in MOOSE

Numerical implementation of an isotropic creep-damage model for concrete in multiphysics object-oriented simulation environment (MOOSE) finite element framework is presented in this paper. The constitutive model considers the combined effect of instantaneous and delayed strains on damage propagation. The implementation considers creep using generalized Maxwell or Kelvin-Voigt models. Using strain splitting assumptions, the total mechanical strains are split into elastic and creep components. Damage is considered to evolve as a function of the elastic and creep strains. This work considers damage as a function of fracture energy using the characteristic length of each finite element. This approach preserves the energy release rate of each element and avoids vanishing energy dissipation as the mesh is refined. Further, a creep-damage parameter is used to quantify the effect of creep strain on damage. The model is tested against published results on notched three-point bending specimens involving non-linear creep and predicts that about a third of the creep strain contributes towards damage for the experiments simulated. Results show that the proposed framework has predictive capabilities, and the model can be extended for more complex systems.

36 MATERIALS SCIENCE↗

Utah FORGE 7-3639: Design and Implementation of a Novel Multi-Frac Stimulation Concept - 2024 Annual Workshop Presentation

This is a presentation on the Design and Implementation of a Novel Multi-Frac Stimulation Concept by The University of Oklahoma, presented by Ahmad Ghassemi. This slide presentation video discusses the design and implementation of a reservoir stimulation concept improving near-wellbore and well-to-well conductivity while enhancing the SRV and promoting self-propping and heat exchange. This presentation was featured in the Utah FORGE R&D Annual Workshop on August 13-15, 2024.

15 GEOTHERMAL ENERGY↗

Field-Scale Assessment of Desiccation Implementation for Deep Vadose Zone Contaminants

Desiccation of the vadose zone has the potential to reduce the flux of contaminants to underlying groundwater by removing moisture and decreasing the aqueous-phase permeability of the desiccated zone. However, data to evaluate implementation of desiccation are needed to enable consideration of desiccation as a potential remedy. Implementation of desiccation was field tested by injecting dry nitrogen gas to a target treatment zone and monitoring the spatial and temporal progress of the drying process. Aqueous waste discharges to disposal cribs approximately 50 years ago distributed water and contaminants, including primarily technetium-99 and nitrate, within the 100-m deep vadose zone at the test site. A field test location was selected adjacent to one of the former disposal cribs. The test was conducted in a contaminated portion of the vadose zone dominated by fine sands with lenses of silt material. Desiccation reduced volumetric moisture content to as low as 0.01. The lateral and vertical distribution of drying from the injection well was influenced by the subsurface heterogeneity. However, over time, desiccation occurred in the initially wetter, lower permeability lenses.

Environmental Molecular Sciences Laboratory↗

SmoQyDQMC.jl: A flexible implementation of determinant quantum Monte Carlo for Hubbard and electron-phonon interactions

We introduce the SmoQyDQMC.jl package, a Julia implementation of the determinant quantum Monte Carlo algorithm. SmoQyDQMC.jl supports generalized tight-binding Hamiltonians with on-site Hubbard and generalized electron-phonon ( e e -ph) interactions, including non-linear e e -ph coupling and anharmonic lattice potentials. Our implementation uses hybrid Monte Carlo methods with exact forces for sampling the phonon fields, enabling efficient simulation of low-energy phonon branches, including acoustic phonons. The SmoQyDQMC.jl package also uses a flexible scripting interface, allowing users to adapt it to different workflows and interface with other software packages in the Julia ecosystem. The code for this package can be downloaded from our GitHub repository at https://github.com/SmoQySuite/SmoQyDQMC.jl or installed using the Julia package manager. The online documentation, including examples, can be obtained from our document page at https://smoqysuite.github.io/SmoQyDQMC.jl/stable/.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A Linac Simulation Code for Macro-particles Tracking and Steering Algorithm Implementation

n this paper, a linac simulation code written in Fortran90 is presented and several simu lation examples are given. This code is optimized to implement linac alignment and steering algorithms, and evaluate the accelerator errors such as RF phase and acceleration gradient, quadrupole and BPM misalignment. It can track a single particle or a bunch of particles through normal linear accelerator elements such as quadrupole, RF cavity, dipole corrector and drift space. One-to-one steering algorithm and a global alignment (steering) algorithm are implemented in this code.

Accelerators↗

Implementation of Doppler Broadening of the Neutron Elastic Scattering Cross Section in MCATK (U)

The ability to Doppler broaden the neutron elastic scattering cross section as a function of cell material temperature has been added to the Monte Carlo Application Toolkit (MCATK). Two different computational methods have been tested for speed and correctness. The implementation has been tested against Doppler broadened nuclear data generated using the NJOY nuclear data processing code. The implementation in MCATK compares well with the tabulated data from NJOY, typically within 0.25%.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Implementation of a coupled treatment of the one-turn mapping in the ray-tracing code Zgoubi

The spin is an intrinsic property of elementary particles and is considered as a quantum angular momentum. It is defined by a direction which is either up or down and an absolute value which is proportional to the elementary quantum of action. It has no analogue in classical mechanics but, as the angular momentum in classic mechanics, the spin of composite systems such as the proton is a combination of its spin components. Although knowing the proton components and their spin, their contribution to the proton spin is unknown and the physicists are still trying to unravel the mystery. A recent theoretical work suggests that the contribution carried by the gluons may be large but it has to be confirmed experimentally. The main accelerator facility which is looking for answers about the origin of the proton spin is located at the Brookhaven National Laboratory (Upton, New York, United States of America). This laboratory has the biggest accelerator complex dedicated to the colliding of polarized proton beam. The protons are first supplied by the Optically Pumped Polarized Ion Source (OPPIS), followed by a 200-MeV Linac and are then transferred to the Booster synchrotron. The protons go into the Alternating Gradient Synchrotron (AGS) which accelerate and prepair them to be injected into the Relativistic Heavy Ion Collider (RHIC). Finally the proton beam is stored into the RHIC ring for several hours and supplies collisions in two detectors of particle experiments placed. The data collected are used for studying the decay products of polarized proton collisions. Although the current RHIC spin experiments are already providing the first information about the proton's spin origin, the complex RHIC is still under improvement. Indeed it is working at minimizing undesirable effects which damage the beam polarization along the acceleration. The polarized proton beam is prone to depolarization due to spin resonances. They could be partially avoided by improving the control of some beam parameters. For instance coupling between the two transverse motions occurs in AGS and modifies the beam parameters predicted by the simulations. The locations of all the coupling sources in the AGS are not really known which makes their removal or compensation difficult to elaborate. This requires improving the simulations of beam dynamics made in the AGS. They need to be performed with, on one hand, a very accurate model and, on the other hand, a code capable of analyzing a coupled motion. Two codes are mainly used: MADX and a ray-tracing code called ZGOUBI 4 which is developing by Dr. François MÉOT. It is scheduled to install ZGOUBI onto the computers of the RHIC complex main control room in order to facilitate and extend its use. Nevertheless ZGOUBI is not completely able to deal with coupled one-turn mapping produced by the ray-tracing so it is necessary to find a way of treating the coupled systems and to implement it within the existing code, that will allow producing coupled optical functions and transporting them using the ray-tracing method. The purpose of this report is to present the results of my research work performed during this 5-month internship. It mainly consisted in searching and synthesizing the appropriate formalism in order to fully treat the coupled which outcomes from ZGOUBI. It required to nd a way of implementing it into the existing ZGOUBI code then to test it. Finally after validation of these add-ons some simulations have been handled by ZGOUBI for the AGS.

43 PARTICLE ACCELERATORS↗

Separations and Waste Forms Campaign Implementation Plan

This Separations and Waste Forms Campaign Implementation Plan provides summary level detail describing how the Campaign will achieve the objectives set-forth by the Fuel Cycle Reasearch and Development (FCRD) Program. This implementation plan will be maintained as a living document and will be updated as needed in response to changes or progress in separations and waste forms research and the FCRD Program priorities.

Department of Energy↗

National Emission Standards for Hazardous Air Pollutants for Major Sources: Industrial, Commercial, and Institutional Boilers - Guidance for Calculating Efficiency Credits Resulting from Implementation of Energy Conservation Measures

The purpose of this document is to provide guidance for developing a consistent approach to documenting efficiency credits generated from energy conservation measures in the Implementation Plan for boilers covered by the Boiler MACT rule (i.e., subpart DDDDD of CFR part 63). This document divides Boiler System conservation opportunities into four functional areas: 1) the boiler itself, 2) the condensate recovery system, 3) the distribution system, and 4) the end uses of the steam. This document provides technical information for documenting emissions credits proposed in the Implementation Plan for functional areas 2) though 4). This document does not include efficiency improvements related to the Boiler tune-ups.

Papar, Riyaz↗

National Emission Standards for Hazardous Air Pollutants for Major Sources: Industrial, Commercial, and Institutional Boilers - Guidance for Calculating Emission Credits Resulting from Implementation of Energy Conservation Measures

The purpose of this document is to provide guidance for developing a consistent approach to documenting efficiency credits generated from energy conservation measures in the Implementation Plan for boilers covered by the Boiler MACT rule (i.e., subpart DDDDD of CFR part 63). This document divides Boiler System conservation opportunities into four functional areas: 1) the boiler itself, 2) the condensate recovery system, 3) the distribution system, and 4) the end uses of the steam. This document provides technical information for documenting emissions credits proposed in the Implementation Plan for functional areas 2) though 4). This document does not include efficiency improvements related to the Boiler tune-ups.

boiler↗

Implementation of Cerenkov Radiation and Reflection/Refraction into MCNP6

This is a summary report on implementation of Cerenkov Emission and Reflection/Refraction in MCNP6. Both of these mechanisms depend on the refractive index of a material. An interface has been written which allows these to be specified by material. The physics of both have been implemented for optical light photons (200 to 800 nm). Examples of results using these new physics capabilities are shown. Some issues which could be addressed in follow-on development in the future are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Report on the Implementation of Homogeneous Nucleation Scheme in MARMOT-based Phase Field Simulation

In this report, we summarized our effort in developing mesoscale phase field models for predicting precipitation kinetics in alloys during thermal aging and/or under irradiation in nuclear reactors. The first part focused on developing a method to predict the thermodynamic properties of critical nuclei such as the sizes and concentration profiles of critical nuclei, and nucleation barrier. These properties are crucial for quantitative simulations of precipitate evolution kinetics with phase field models. Fe-Cr alloy was chosen as a model alloy because it has valid thermodynamic and kinetic data as well as it is an important structural material in nuclear reactors. A constrained shrinking dimer dynamics (CSDD) method was developed to search for the energy minimum path during nucleation. With the method we are able to predict the concentration profiles of the critical nuclei of Cr-rich precipitates and nucleation energy barriers. Simulations showed that Cr concentration distribution in the critical nucleus strongly depends on the overall Cr concentration as well as temperature. The Cr concentration inside the critical nucleus is much smaller than the equilibrium concentration calculated by the equilibrium phase diagram. This implies that a non-classical nucleation theory should be used to deal with the nucleation of Cr precipitates in Fe-Cr alloys. The growth kinetics of both classical and non-classical nuclei was investigated by the phase field approach. A number of interesting phenomena were observed from the simulations: 1) a critical classical nucleus first shrinks toward its non-classical nucleus and then grows; 2) a non-classical nucleus has much slower growth kinetics at its earlier growth stage compared to the diffusion-controlled growth kinetics. 3) a critical classical nucleus grows faster at the earlier growth stage than the non-classical nucleus. All of these results demonstrated that it is critical to introduce the correct critical nuclei into phase field modeling in order to correctly capture the kinetics of precipitation. In most alloys the matrix phase and precipitate phase have different concentrations as well as different crystal structures. For example, Cu precipitates in FeCu alloys have fcc crystal structure while the matrix Fe-Cu solid solution has bcc structure at low temperature. The WBM model and KimS model, where both concentrations and order parameters are chosen to describe the microstructures, are commonly used to model precipitations in such alloys. The WBM and KimS models have not been implemented into Marmot yet. In the second part of this report, we focused on implementing the WBM and KimS models into Marmot. The Fe-Cu alloys, which are important structure materials in nuclear reactors, was taken as the model alloys to test the models.

Fe Alloys↗

Gradient Plasticity Model and its Implementation into MARMOT

The influence of strain gradient on deformation behavior of nuclear structural materials, such as body-centered cubic (bcc) iron alloys has been investigated. We have developed and implemented a dislocation based strain gradient crystal plasticity material model. A mesoscale crystal plasticity model for inelastic deformation of metallic material, bcc steel, has been developed and implemented numerically. Continuum Dislocation Dynamics (CDD) with a novel constitutive law based on dislocation density evolution mechanisms was developed to investigate the deformation behaviors of single crystals, as well as polycrystalline materials by coupling CDD and crystal plasticity (CP). The dislocation density evolution law in this model is mechanism-based, with parameters measured from experiments or simulated with lower-length scale models, not an empirical law with parameters back-fitted from the flow curves.

continuous dislocation dynamics↗