Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “water model”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A Shallow-Water Model for Convective Self-Aggregation

Randomly distributed convective storms can self-aggregate in the absence of large-scale forcings. Here we present a 1D shallow-water model to study the convective self-aggregation. This model simulates the dynamics of the planetary boundary layer and represents convection as a triggered process. Once triggered, convection lasts for finite time and occupies finite length. Here we show that the model can successfully simulate self-aggregation, and that the results are robust to a wide range of parameter values. In the simulations, convection excites gravity waves. The gravity waves then form a standing wave pattern, separating the domain into convectively active and inactive regions. We analyze the available potential energy (APE) budget and show that convection generates APE, providing energy for self-aggregation. By performing dimensional analysis, we develop a scaling theory for the size of convective aggregation, which is set by the gravity wave speed, damping time scale, and number density of convective storms. This paper provides a simple modeling framework to further study convective self-aggregation.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1995

Assimilation of TOPEX Sea Level Measurements with a Reduced-Gravity, Shallow Water Model of the Tropical Pacific Ocean

Sea surface height variability measured by TOPEX is analyzed in the tropical Pacific Ocean by way of assimilation into a wind-driven, reduced-gravity, shallow water model using an approximate Kalman filter and smoother. The analysis results in an optimal fit of the dynamic model to the observations, providing it dynamically consistent interpolation of sea level and estimation of the circulation. Nearly 80% of the expected signal variance is accounted for by the model within 20 deg of the equator, and estimation uncertainty is substantially reduced by the voluminous observation. Notable features resolved by the analysis include seasonal changes associated with the North Equatorial Countercurrent and equatorial Kelvin and Rossby waves. Significant discrepancies are also found between the estimate and TOPEX measurements, especially near the eastern boundary. Improvements in the estimate made by the assimilation are validated by comparisons with independent tide gauge and current meter observations. The employed filter and smoother are based on approximately computed estimation error covariance matrices, utilizing a spatial transformation and an symptotic approximation. The analysis demonstrates the practical utility of a quasi-optimal filter and smoother.

Fukumori, Ichiro↗
NASA NTRS1976

Methods for data reduction and loads analysis of Space Shuttle Solid Rocket Booster model water impact tests

The methodology used to predict full scale space shuttle solid rocket booster (SRB) water impact loads from scale model test data is described. Tests conducted included 12.5 inch and 120 inch diameter models of the SRB. Geometry and mass characteristics of the models were varied in each test series to reflect the current SRB baseline configuration. Nose first and tail first water entry modes were investigated with full-scale initial impact vertical velocities of 40 to 120 ft/sec, horizontal velocities of 0 to 60 ft/sec., and off-vertical angles of 0 to plus or minus 30 degrees. The test program included a series of tests with scaled atmospheric pressure.

Source record↗
NASA NTRS1989

A shallow water model of the winter stratosphere

The shallow water equations are used to investigate the interaction of planetary wave-breaking with a 'diabatic' forcing. The numerical integrations demonstrate the formation of a sharp gradient in potential vorticity at the edge of the polar vortex, despite 'diabatic relaxation' toward a smooth gradient. Successive cycles of Rossby wave-breaking accentuate the distinction between the vortex and the surf-zone. Persistent easterly acceleration in the tropics eventually produces a flow regime of little relevance to the atmosphere. For the period when the flow has some qualitative resemblance to the middle stratosphere diffusion coefficients are calculated from the meridional fluxes of potential vorticity and of passive tracers. It is found that the unique dynamical nature of potential vorticity among tracers is not reflected in its diffusion coefficient.

Juckes, Martin↗
NASA NTRS1974

Data book for 12.5-inch diameter SRB thermal model water flotation test; 1.29 psia, series P022

Data acquired from tests conducted to determine how thermal conditions affect SRB (Space Shuttle Solid Rocket Booster) flotation at a scaled pressure of 1.29 psia are presented. Included are acceleration, pressure, and temperature data recorded from initial water impact to final flotation position using a 12.5-inch diameter thermal model of the SRB. Nineteen valid tests were conducted. These thermal tests indicated the following basic differences relative to the ambient temperature and pressure model tests: (1) more water was taken on board during penetration and (2) model flotation/sinking was temperature sensitive.

Allums, S. L.↗
DOE OSTI2021

Quality Data Essential for Modeling Water Cycles Effectively

The experimental and observational data is the backbone of effective modeling of all aspects of water cycles. As the computer technology used for these data gathering efforts has improved dramatically in the recent decades, the environmental conditions these instruments are subjected to remain pretty much the same. These measuring instruments are exposed to the sun light, wind, rain, snow and ice; and they are immersed in dirt, water and mud. All of these are damaging to the electronics components used for data gathering, storage, and transmission, which creates many different kinds of data quality issues that affect the quality and reliability of modeling and prediction efforts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Role of water model on ion dissociation at ambient conditions

In this work, we study ion pair dissociation in water at ambient conditions using a combination of classical and ab initio approaches. The goal of this study is to disentangle the sources of discrepancy observed in computed potentials of mean force. In particular, we aim to understand why some models favor the stability of solvent-separated ion pairs vs contact ion pairs. We found that some observed differences can be explained by non-converged simulation parameters. However, we also unveil that for some models, small changes in the solution density can have significant effects on modifying the equilibrium balance between the two configurations. We conclude that the thermodynamic stability of contact and solvent-separated ion pairs is very sensitive to the dielectric properties of the underlying simulation model. In general, classical models are very robust in providing a similar estimation of the contact ion pair stability, while this is much more variable in density functional theory-based models. The barrier to transition from the solvent-separated to contact ion pair is fundamentally dependent on the balance between electrostatic potential energy and entropy. This reflects the importance of water intra- and inter-molecular polarizability in obtaining an accurate description of the screened ion–ion interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Investigating the Accuracy of Water Models through the Van Hove Correlation Function

In this study, we present molecular-simulation-based calculations of the Van Hove correlation function (VHF) of water using multiple modeling approaches: classical molecular dynamics with simple three-site nonpolarizable models, with a polarizable model, and with a reactive force field; density functional tight-binding molecular dynamics; and ab initio molecular dynamics. Due to the many orders of magnitude difference in the computational cost of these approaches, we investigate how small and short the simulations can be while still yielding sufficiently accurate and interpretable results for the VHF. We investigate the accuracy of the different models by comparing them to recently published inelastic X-ray scattering measurements of the VHF. We find that all of the models exhibit qualitative agreement with the experiments, and in some models and for some properties, the agreement is quantitative. This work lays the foundation for future simulation approaches to calculating the VHF for aqueous solutions in bulk and under nanoconfinement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Using Hough harmonics to validate and assess nonlinear shallow-water models

The implementation of a technique for locating programming errors in shallow-water codes, establishing the correctness of the code, and assessing the performance of the numerical model under various flow conditions is described. The right-hand side of the differential equations is modified in such a way that the exact solution of the nonlinear initial-value problem is known, so that the truncation errors of the numerical scheme can be studied in detail. The exact solution is prescribed to be any linear combination of Hough harmonics which propagate in time according to their natural frequencies.

Dee, Dick P.↗
NASA NTRS1974

Data book for 12.5-inch diameter SRB thermal model water flotation test - 14.7 psia, series P024

Tests were conducted to determine how thermal conditions affect space shuttle solid rocket booster (SRB) flotation. Acceleration, pressure, and temperature data were recorded from initial water impact to final flotation position using a 12.5-inch diameter thermal model of the SRB at ambient pressure. The model was 136.9 inches long and weighed 117.3 lbm. The tests indicated the following differences from ambient temperature tests: (1) significant negative static pressures can occur during penetration; (2) maximum penetration is increased; and (3) final flotation is in the spar buoy mode.

Allums, S. L.↗
NASA NTRS1974

Data book for 12.5-inch diameter SRB thermal model water flotation test: 14.7 psia, series P020

Data acquired from the initial series of tests conducted to determine how thermal conditions affect SRB (Space Shuttle Solid Rocket Booster) flotation are presented. Acceleration, pressure, and temperature data recorded from initial water impact to final flotation position using a 12.5-inch diameter thermal model of the SRB at ambient pressure are included. The model was 136.9 inches long and weighed 117.3 lbm. The tests indicated the following differences from ambient temperature tests: (1) significant negative static pressures can occur during penetration; (2) maximum penetration is increased; and (3) final flotation is in the spar buoy mode.

Allums, S. L.↗
DOE OSTI2021

Phase Diagram of a Deep Potential Water Model

Using the Deep Potential methodology, we construct a model that reproduces accurately the potential energy surface of the SCAN approximation of density functional theory for water, from low temperature and pressure to about 2400 K and 50 GPa, excluding the vapor stability region. The computational efficiency of the model makes it possible to predict its phase diagram using molecular dynamics. Satisfactory overall agreement with experimental results is obtained. Here, the fluid phases, molecular and ionic, and all the stable ice polymorphs, ordered and disordered, are predicted correctly, with the exception of ice III and XV that are stable in experiments, but metastable in the model. The evolution of the atomic dynamics upon heating, as ice VII transforms first into ice VII" and then into an ionic fluid, reveals that molecular dissociation and breaking of the ice rules coexist with strong covalent fluctuations, explaining why only partial ionization was inferred in experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Semi-Lagrangian integration of a gridpoint shallow water model on the sphere

A stable, semi-Lagrangian, semi-implicit, two-time-level, gridpoint integration scheme for the shallow water equations on the sphere is presented. A rotated spherical coordinate system is used to integrate the equations of motion at each gridpoint poleward of a certain latitude, thus overcoming problems associated with the polar singularity. The results of medium term integrations of large scale test patterns using a long time step are presented.

Mcdonald, A.↗
DOE OSTI2021

Manifestations of metastable criticality in the long-range structure of model water glasses

Abstract Much attention has been devoted to water’s metastable phase behavior, including polyamorphism (multiple amorphous solid phases), and the hypothesized liquid-liquid transition and associated critical point. However, the possible relationship between these phenomena remains incompletely understood. Using molecular dynamics simulations of the realistic TIP4P/2005 model, we found a striking signature of the liquid-liquid critical point in the structure of water glasses, manifested as a pronounced increase in long-range density fluctuations at pressures proximate to the critical pressure. By contrast, these signatures were absent in glasses of two model systems that lack a critical point. We also characterized the departure from equilibrium upon vitrification via the non-equilibrium index; water-like systems exhibited a strong pressure dependence in this metric, whereas simple liquids did not. These results reflect a surprising relationship between the metastable equilibrium phenomenon of liquid-liquid criticality and the non-equilibrium structure of glassy water, with implications for our understanding of water phase behavior and glass physics. Our calculations suggest a possible experimental route to probing the existence of the liquid-liquid transition in water and other fluids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

A multigrid solver for semi-implicit global shallow-water models

A multigrid solver is developed for the discretized two-dimensional elliptic equation on the sphere that arises from a semiimplicit time discretization of the global shallow-water equations. Different formulations of the semiimplicit scheme result in variable-coefficient Helmholtz-type equations for which no fast direct solvers are available. The efficiency of the multigrid solver is optimal, in the sense that the total operation count is proportional to the number of unknowns. Numerical experiments using initial data derived from actual 300-mb height and wind velocity fields indicate that the present model has very good accuracy and stability properties.

Barros, Saulo R. M.↗
DOE OSTI2023

Quantifying the Impact of Excluding the Submersion Exposure Route for Existing Superfund Radionuclide Screening Level Calculator Soil and Tap Water Models

The U.S. Environmental Protection Agency (EPA) provides initial data screening guidelines for radionuclide-contaminated Superfund sites using preliminary remediation goals (PRGs) and dose compliance concentrations (DCCs). PRGs and DCCs are target concentration values based on acceptable excess lifetime cancer risk and annual dose limits, respectively. They are calculated for various environmental media that may be encountered by residential and worker land uses. PRGs and DCCs typically consist of multiple exposure routes. One of these routes is submersion, which is exposure to a gaseous or particulate radionuclide that is suspended in air. Currently, submersion is only included in air calculations. This study focused on determining whether factoring submersion into total PRG/DCC calculations for soil and tap water created a significant difference in the target concentrations. New equations for individual submersion PRGs/DCCs for each land use of interest for soil and tap water were developed. A wind-driven particulate emission factor and Andelman’s constant were used to model the amount of soil and vapor in the air from soil and household use of tap water, respectively. The submersion PRG/DCC was then included in the total PRG/DCC for each radionuclide, followed by a percent difference comparison of the old and new totals to quantify the impact of the change. For total soil PRGs/DCCs, with and without submersion, the difference was less than 1 percent; however, many of the tap water radionuclides analyzed – including multiple radon and polonium isotopes – showed as high as a 200 percent difference.This technical memorandum (TM) presents recommendations for updates to current EPA guidelines for initial data screens of radionuclide contaminated tap water.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

A Self-Evolution Data Fusion Platform for Large-Scale Water Models

Focal Area: Data acquisition and assimilation enabled by machine learning (ML), artificial intelligence (AI), and advanced methods including experimental/network design/optimization, unsupervised learning (deep learning), leveraging advanced hardware (e.g., edge computing). This development is to enable solving the science questions regarding the human and climatic factors that interact with and drive global water scarcity.

54 ENVIRONMENTAL SCIENCES↗