Early data processing experiences at the AIRS team leader science computing facility
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Results for “computer experiment”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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CFTs blueshift tensor fluctuations universally
The strong constraints of conformal symmetry cause any nearly-conformal sector to blueshift tensor fluctuations in cosmology. Hidden sectors with approximate conformal symmetry, which may be quite large, are a well-motivated extension of physics beyond the Standard Models of particle physics and cosmology. They can therefore lead to a detectable shift in the tensor tilt for next-generation CMB and gravitational wave experiments. Here, we compute the leading-order contribution to the in-in graviton two-point function from virtual loops in such sectors to demonstrate this universal effect. In units where a single conformally-coupled scalar is 1, limits from Stage-IV CMB experiments could bound the size of this extra sector to be smaller than ~10 15 , under a plausible calculational assumption backed by a simple power counting argument. This would be sufficient to rule out N-Naturalness as a complete resolution of the hierarchy problem.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
On the novel 3-D neutron transport kinetic tRAPID algorithm and its validation
The Real-time Analysis for Particle-transport and In-situ Detection (RAPID) Code System, based on the Multi-stage Response-function Transport (MRT) methodology, allows for real-time simulation of nuclear systems based on 3-D continuous-energy particle transport. RAPID's steady-state (criticality) neutron transport algorithm is based on the Fission Matrix (FM) method, and has been extensively verified and validated against computational benchmarks and experiments. This paper introduces the novel 3-D time-dependent transport algorithm that has been implemented into the code, tRAPID, and its validation using the JSI TRIGA Mark-II reactor. tRAPID accurately and efficiently calculates neutron kinetics parameters (such as β{sub eff}, l{sub eff} , Λ, α{sub Rossi}) and 3-D time-dependent neutron fission source distribution and neutron importances for both prompt and delayed neutrons. tRAPID is used to simulate a rod insertion experiment performed at the JSI TRIGA Mark-II reactor, during which signals from four fission chambers at four different locations in the core were collected. The results demonstrate how tRAPID is capable of calculating detailed and accurate results with only a minimal use computational resources and time.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines
This work describes the use of C–H∙∙∙F–C contacts in the solid-state from the stator towards the rotator to fine-tune their internal motion, by constructing a set of interactions that generate close-fitting cavities in three supramolecular rotors 1–3I. The crystal structures of these rotors, determined by synchrotron radiation experiments at different temperatures, show the presence of such C–H∙∙∙F–C contacts between extended carbazole stators featuring fluorinated phenyl rings and the 1,4-diazabicyclo[2.2.2]octane (DABCO) rotator. According to the 2 H NMR results, using deuterated samples, and periodic density functional theory computations, the rotators experience fast angular displacements (preferentially 120° jumps) due to their low rotational activation energies (E a = 0.8–2.0 kcal mol -1 ). The higher rotational barrier for 1 (2.0 kcal mol -1 ) is associated with a larger number of weak C–H∙∙∙F–C contacts generated by the stators. This strategy offers the possibility to explore the correlation among weak intermolecular forces, cavity shape, and internal dynamics, which has strong implications in the design of future fine-tuned amphidynamic crystals.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Experiences developing large-scale synthetic U.S.-style distribution test systems
Not Available
Palmintier, Bryan (ORCID:0000000214520715)↗
Navier-Stokes computations for exotic airfoils
A hyperbolic grid generator with improvements for handling sharp corners and concave surfaces combined with a Navier-Stokes flow solver is applied to complex two dimensional airfoil configurations. Steady separated flow about an iced leading edge of an airfoil is presented. Unsteady viscous separated flows past an airfoil at two angles of attack with a spoiler deployed at 60 deg are compared with experiment. The spoiler computations are performed with two different topological maps of the physical domain to the computational domain. Graphical techniques for the static and unsteady display of the flow fields are discussed.
Barth, T. J.↗
Model-Invariant Hybrid Computations of Separated Flows for RCA Standard Test Cases
NASA's Revolutionary Computational Aerosciences (RCA) subproject has identified several smooth-body separated flows as standard test cases to emphasize the challenge these flows present for computational methods and their importance to the aerospace community. Results of computations of two of these test cases, the NASA hump and the FAITH experiment, are presented. The computations were performed with the model-invariant hybrid LES-RANS formulation, implemented in the NASA code VULCAN-CFD. The model- invariant formulation employs gradual LES-RANS transitions and compensation for model variation to provide more accurate and efficient hybrid computations. Comparisons revealed that the LES-RANS transitions employed in these computations were sufficiently gradual that the compensating terms were unnecessary. Agreement with experiment was achieved only after reducing the turbulent viscosity to mitigate the effect of numerical dissipation. The stream-wise evolution of peak Reynolds shear stress was employed as a measure of turbulence dynamics in separated flows useful for evaluating computations.
Woodruff, Stephen↗
Optimization of Ag Electrocatalyst Performance for CO2 to CO Conversion: Pairing Atomic Simulations with Experiments
This invited presentation encapsulates computational investigation of nanostructured Ag electrocatalyst for CO2 to CO conversion to complement the surface science/electrochemical experiments.
catalysis↗
Experience in using SIMD and MIMD parallelism for computational fluid dynamics
One of the key objectives of the Applied Research Branch in the Numerical Aerodynamic Simulation (NAS) Systems Division at NASA Ames Research Center is the accelerated introduction of highly parallel machines into a fully operational environment. In this report we summarize some of the experiences with the parallel testbed machines at the NAS Applied Research Branch. We discuss the performance results obtained from the implementation of two computational fluid dynamics (CFD) applications, an unstructured grid solver and a particle simulation, on the Connection Machine CM-2 and the Intel iPSC/860.
Simon, Horst D.↗
Secure Federated Learning Across Heterogeneous Cloud and High-Performance Computing Resources: A Case Study on Federated Fine-Tuning of LLaMA 2
Federated learning enables multiple data owners to collaboratively train robust machine learning models without transferring large or sensitive local datasets by only sharing the parameters of the locally trained models. Here, in this article, we elaborate on the design of our Advanced Privacy-Preserving Federated Learning (APPFL) framework, which streamlines end-to-end secure and reliable federated learning experiments across cloud computing facilities and high-performance computing resources by leveraging Globus Compute, a distributed function as a service platform, and Amazon Web Services. We further demonstrate the use case of APPFL in fine-tuning an LLaMA 2 7B model using several cloud resources and supercomputers.
97 MATHEMATICS AND COMPUTING↗
Optimizing Batch Crystallization with Model-based Design of Experiments
Poster for Foundations of Computer Aided Process Design (FOCAPD) 2024 describing the formality of model-based design of experiments for batch crystallization. This paper focuses on the implementation of model-based design of experiments for parameter precision, enabled by Pyomo.DoE, a package in Python. Specifically, this work outlines an identifiability analysis for the estimability of the model parameters in a batch crystallization system.
Lynch, Hailey↗
Comparison of Computational Results with a Low-g, Nitrogen Slosh and Boiling Experiment
The proposed paper will compare a fluid/thermal simulation, in FLUENT, with a low-g, nitrogen slosh experiment. The French Space Agency, CNES, performed cryogenic nitrogen experiments in several zero gravity aircraft campaigns. The computational results have been compared with high-speed photographic data, pressure data, and temperature data from sensors on the axis of the cylindrically shaped tank. The comparison between these experimental and computational results is generally favorable: the initial temperature stratification is in good agreement, and the two-phase fluid motion is qualitatively captured.
Boiling---Phase Transformations↗
Geometric Scale-up Experiments on Fluidization of Geldart B Glass Beads
The objective of this work is to provide a valuable database from controlled experiments for validating computational models. Recently, coarse-grained techniques such as particle-in-cell (PIC) or coarse-grained discrete element modeling (DEM) have gained popularity due to their computational efficiency while modeling large-scale systems; however, the influence of model parameters and their sensitivities at different geometric scales and flow conditions remain to be analyzed. These datasets are critical for the multiphase flow research community to assess predictive capability of modeling techniques as well as elucidate the hydrodynamic behavior in these systems. This study performed fluidization experiments using three different test sections with internal diameters of 2.5, 4, and 6 in. The operating conditions, bed material, and range of flow velocities at the inlet were constant in all the units, which were not hydrodynamically scaled. Glass beads having a Sauter Mean Diameter of 332 μm were used. Superficial velocity was varied from 2.97 to 5.35 times the minimum fluidization velocity and the initial static bed height was 0.1524 m. The order in which the experiments were performed was randomized and replicates were included to provide uncertainty in measurements. Statistics of differential pressure and bed height from these tests were reported. Future plans include validating PIC methodology in the open-source software, MFiX (Multiphase Flow with Interphase Exchanges) using results from this study. This could further be extended to determine optimal model parameters using inverse techniques such as deterministic calibration or Bayesian inference.
42 ENGINEERING↗
Geometric Scale-up Experiments on Fluidization of Geldart B Glass Beads
The objective of this work is to provide a valuable database from controlled experiments for validating computational models. Recently, coarse-grained techniques such as particle-in-cell (PIC) or coarse-grained discrete element modeling (DEM) have gained popularity due to their computational efficiency while modeling large-scale systems; however, the influence of model parameters and their sensitivities at different geometric scales and flow conditions remain to be analyzed. These datasets are critical for the multiphase flow research community to assess predictive capability of modeling techniques as well as elucidate the hydrodynamic behavior in these systems. This study performed fluidization experiments using three different test sections with internal diameters of 2.5, 4, and 6 in. The operating conditions, bed material, and range of flow velocities at the inlet were constant in all the units, which were not hydrodynamically scaled. Glass beads having a Sauter Mean Diameter of 332 μm were used. Superficial velocity was varied from 2.97 to 5.35 times the minimum fluidization velocity and the initial static bed height was 0.1524 m. The order in which the experiments were performed was randomized and replicates were included to provide uncertainty in measurements. Statistics of differential pressure and bed height from these tests were reported. Future plans include validating PIC methodology in the open-source software, MFiX (Multiphase Flow with Interphase Exchanges) using results from this study. This could further be extended to determine optimal model parameters using inverse techniques such as deterministic calibration or Bayesian inference.
20 FOSSIL-FUELED POWER PLANTS↗
Development, Testing, and Validation of a Model-Based Tool to Predict Operator Responses in Unexpected Workload Transitions
One human factors challenge is predicting operator performance in novel situations. Approaches such as drawing on relevant previous experience, and developing computational models to predict operator performance in complex situations, offer potential methods to address this challenge. A few concerns with modeling operator performance are that models need to realistic, and they need to be tested empirically and validated. In addition, many existing human performance modeling tools are complex and require that an analyst gain significant experience to be able to develop models for meaningful data collection. This paper describes an effort to address these challenges by developing an easy to use model-based tool, using models that were developed from a review of existing human performance literature and targeted experimental studies, and performing an empirical validation of key model predictions.
model-based workload transition tool↗
Navier-Stokes computations for exotic airfoils
An efficient hyperbolic grid generator with improvements for handling sharp corners and concave surfaces is combined with an efficient and accurate Navier-Stokes flow solver. This combination is applied to some rather complex two-dimensional airfoil configurations. Steady separated flow about an iced leading edge of an airfoil is presented. Unsteady viscous separated flows past an airfoil at two angles of attack with a spoiler deployed at 60 degrees are presented and compared with experiment. The spoiler computations are performed with two different topological maps of the physical domain to the computational domain. Innovative graphical techniques for both the static and unsteady display of the flow fields are presented and discussed.
Barth, T. J.↗
Dark Radiation Constraints on Heavy QCD Axions
The naturalness problem of PQ symmetry motivates study of the heavy QCD axion, with masses m a > 1 MeV generated at scales above the QCD scale, and low values of the PQ symmetry breaking scale, ƒ a . We compute the abundance of such axions in a model-independent way, assuming only that they freeze-out after reheating from inflation, and are not subsequently diluted by new physics. If these axions decay between neutrino decoupling and the last scatter era of the Cosmic Microwave Background (CMB), they dilute the neutrinos and their abundance is constrained by CMB measurements of the energy density in dark radiation, N eff . We accurately compute this bound using a numerical code to evolve the axion momentum distribution, including many key processes and effects previously ignored. We assume that the only relevant axion decays are to final states involving Standard Model particles. We determine regions of (m a , ƒ a ) that will give a signal in N eff at CMB Stage 4 experiments. We similarly compute the N eff bound and CMB Stage 4 signal for heavy axions that can decay to light mirror photons. Finally, we compute the bounds on heavy axions with mass below 1 MeV that decay after the era of CMB last scatter, from their contribution to cold or hot dark matter or N eff at this era.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Low Reynolds number kappa-epsilon and empirical transition models for oscillatory pipe flow and heat transfer
Stirling engine heat exchangers are shell-and-tube type with oscillatory flow (zero-mean velocity) for the inner fluid. This heat transfer process involves laminar-transition turbulent flow motions under oscillatory flow conditions. A low Reynolds number kappa-epsilon model, (Lam-Bremhorst form), was utilized in the present study to simulate fluid flow and heat transfer in a circular tube. An empirical transition model was used to activate the low Reynolds number k-e model at the appropriate time within the cycle for a given axial location within the tube. The computational results were compared with experimental flow and heat transfer data for: (1) velocity profiles, (2) kinetic energy of turbulence, (3) skin friction factor, (4) temperature profiles, and (5) wall heat flux. The experimental data were obtained for flow in a tube (38 mm diameter and 60 diameter long), with the maximum Reynolds number based on velocity being Re(sub max) = 11840, a dimensionless frequency (Valensi number) of Va = 80.2, at three axial locations X/D = 16, 30 and 44. The agreement between the computations and the experiment is excellent in the laminar portion of the cycle and good in the turbulent portion. Moreover, the location of transition was predicted accurately. The Low Reynolds Number kappa-epsilon model, together with an empirical transition model, is proposed herein to generate the wall heat flux values at different operating parameters than the experimental conditions. Those computational data can be used for testing the much simpler and less accurate one dimensional models utilized in 1-D Stirling Engine design codes.
Bauer, Christopher↗