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At least 829 records · Page 46

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NASA NTRS1990

A comparison of real-time blade-element and rotor-map helicopter simulations using parallel processing

In recent efforts by NASA, the Army, and Advanced Rotorcraft Technology, Inc. (ART), the application of parallel processing techniques to real-time simulation have been studied. Traditionally, real-time helicopter simulations have omitted the modeling of high-frequency phenomena in order to achieve real-time operation on affordable computers. Parallel processing technology can now provide the means for significantly improving the fidelity of real-time simulation, and one specific area for improvement is the modeling of rotor dynamics. This paper focuses on the results of a piloted simulation in which a traditional rotor-map mathematical model was compared with a more sophisticated blade-element mathematical model that had been implemented using parallel processing hardware and software technology.

Corliss, Lloyd↗

DOE OSTI2016

Process Modeling for Additive Manufacturing

Additive Manufacturing (AM) provides a new avenue to design innovative materials and components that cannot be created using traditional machining operations. With current AM capabilities, complex designs (such as those required in weapon systems) can be readily manufactured with laser powder forming (or Laser-Engineered Net Shaping (LENSTM)) [1] that would be otherwise cost prohibitive or impossible to produce. However, before an AM product can be qualified for weapon applications, the characteristics of the metals produced by additive manufacturing processes need to be well understood. This work focuses on the development of computational simulation tools to model the metal additive manufacturing process. This work extends and integrates existing Sandia National Laboratories tools to accomplish the following: (i) be able to better predict residual stresses in AM product, (ii) extend high-fidelity material models to capture material evolution during the formation process, leading to prediction of end-state material properties, and (iii) provide a basis for engineering tools to propose improvements to additive manufacturing process variables, including those that minimize process variation. While this work in its current state is directly applicable to additive manufacturing processes, the tools developed may also help enable modeling welding processes such as gas tungsten arc (GTA), electron beam, and laser welding.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2020

Multimodel simulation of vertical gas transfer in a temperate lake

In recent decades, several lake models of varying complexity have been developed and incorporated in numerical weather prediction systems and climate models. To foster enhanced forecasting ability and verification, improvement of these lake models remains essential. This especially applies to the limited simulation capabilities of biogeochemical processes in lakes and greenhouse gas exchanges with the atmosphere. Here we present multi-model simulations of physical variables and dissolved gas dynamics in a temperate lake (Harp Lake, Canada). The five models (ALBM, FLake, LAKE, LAKEoneD, MTCR-1) considered within this most recent round of the Lake Model Intercomparison Project (LakeMIP) all captured the seasonal temperature variability well. In contrast, none of the models is able to reproduce the exact dates of ice-cover and ice-off, leading to considerable errors in the simulation of eddy diffusivity around those dates.We then conducted an additional modeling experiment with a diffusing passive tracer to isolate the effect of the eddy diffusivity on gas concentration. Remarkably, sophisticated k -" models do not demonstrate a significant difference in the vertical diffusion of a passive tracer compared to models with much simpler turbulence closures. All models simulate less intensive spring overturn compared to autumn. Reduced mixing in the models consequently leads to the accumulation of the passive tracer distribution in the water column. The lake models with a comprehensive biogeochemical module, such as ALBM and LAKE, predict dissolved oxygen dynamics adequate to the observed data. However, for the surface carbon dioxide concentration the correlation between modeled (ALBM, LAKE) and observed data is weak (~0.3). Overall our results indicate the need to improve the representation of physical and biogeochemical processes in lake models, thereby contributing to enhanced weather prediction and climate projection capabilities.

Guseva, Sofya↗

NASA NTRS2017

How Should Life Support Be Modeled and Simulated?

Why do most space life support research groups build and investigate large models for systems simulation? The need for them seems accepted, but are we asking the right questions and solving the real problems? The modeling results leave many questions unanswered. How then should space life support be modeled and simulated? Life support system research and development uses modeling and simulation to study dynamic behavior as part of systems engineering and analysis. It is used to size material flows and buffers and plan contingent operations. A DoD sponsored study used the systems engineering approach to define a set of best practices for modeling and simulation. These best practices describe a systems engineering process of developing and validating requirements, defining and analyzing the model concept, and designing and testing the model. Other general principles for modeling and simulation are presented. Some specific additional advice includes performing a static analysis before developing a dynamic simulation, applying the mass and energy conservation laws, modeling on the appropriate system level, using simplified subsystem representations, designing the model to solve a specific problem, and testing the model on several different problems. Modeling and simulation is necessary in life support design but many problems are outside its scope.

Jones, Harry W.↗

DOE OSTI2016

Optical droplet vaporization of nanoparticle-loaded stimuli-responsive microbubbles

A capillary co-flow focusing process is developed to generate stimuli-responsive microbubbles (SRMs) that comprise perfluorocarbon (PFC) suspension of silver nanoparticles (SNPs) in a lipid shell. Upon continuous laser irradiation at around their surface plasmon resonance band, the SNPs effectively absorb electromagnetic energy, induce heat accumulation in SRMs, trigger PFC vaporization, and eventually lead to thermal expansion and fragmentation of the SRMs. This optical droplet vaporization (ODV) process is further simulated by a theoretical model that combines heat generation of SNPs, phase change of PFC, and thermal expansion of SRMs. The model is validated by benchtop experiments, where the ODV process is monitored by microscopic imaging. The effects of primary process parameters on behaviors of ODV are predicted by the theoretical model, indicating the technical feasibility for process control and optimization in future drug delivery applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

gdess: A framework for evaluating simulated atmospheric CO 2 in Earth System Models

Atmospheric carbon dioxide (CO 2 ) plays a key role in the global carbon cycle and global warming. Climate-carbon feedbacks are often studied and estimated using Earth System Models (ESMs), which couple together multiple model components—including the atmosphere, ocean, terrestrial biosphere, and cryosphere—to jointly simulate mass and energy exchanges within and between these components. Despite tremendous advances, model intercomparisons and benchmarking are aspects of ESMs that warrant further improvement (Fer et al., 2021; Smith et al., 2014). Such benchmarking is critical because comparing the value of state variables in these simulations against observed values provides evidence for appropriately refining model components; moreover, researchers can learn much about Earth system dynamics in the process (Randall et al., 2019). We introduce `gdess` (a.k.a., Greenhouse gas Diagnostics for Earth System Simulations), which parses observational datasets and ESM simulation output, combines them to be in a consistent structure, computes statistical metrics, and generates diagnostic visualizations. In its current incarnation, `gdess` facilitates evaluating a model's ability to reproduce observed temporal and spatial variations of atmospheric CO 2 . The diagnostics implemented modularly in `gdess` support more rapid assessment and improvement of model-simulated global CO 2 sources and sinks associated with land and ocean ecosystem processes. We intend for this set of automated diagnostics to form an extensible, open source framework for future comparisons of simulated and observed concentrations of various greenhouse gases across Earth system models.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Nonnegative tensor factorization for contaminant source identification

Unsupervised Machine Learning (ML) is becoming increasingly popular for solving various types of data analytics problems including feature extraction, blind source separation, exploratory analyses, model diagnostics, etc. In this work, we have developed a new unsupervised ML method based on Nonnegative Tensor Factorization (NTF) for identification of the original groundwater types (including contaminant sources) present in geochemical mixtures observed in an aquifer. Frequently, groundwater types with different geochemical signatures are related to different background and/or contamination sources. The characterization of groundwater mixing processes is a challenging but very important task critical for any environmental management project aiming to characterize the fate and transport of contaminants in the subsurface and perform contaminant remediation. This task typically requires solving complex inverse models representing groundwater flow and geochemical transport in the aquifer, where the inverse analysis accounts for available site data. Usually, the model is calibrated against the available data characterizing the spatial and temporal distribution of the observed geochemical types. Numerous different geochemical constituents and processes may need to be simulated in these models which further complicates the analyses. Additionally, the application of inverse methods may introduce biases in the analyses through the assumptions made in the model development process. Here, we substitute the model inversion with unsupervised ML analysis. The ML analysis does not make any assumptions about underlying physical and geochemical processes occurring in the aquifer. Our ML methodology, called NTFk, is capable of identifying (1) the unknown number of groundwater types (contaminant sources) present in the aquifer, (2) the original geochemical concentrations (signatures) of these groundwater types and (3) spatial and temporal dynamics in the mixing of these groundwater types. These results are obtained only from the measured geochemical data without any additional site information. In general, the NTFk methodology allows for interpretation of large high-dimensional datasets representing diverse spatial and temporal components such as state variables and velocities. NTFk has been tested on synthetic and real-world site three-dimensional datasets. Finally, the NTFk algorithm is designed to work with geochemical data represented in the form of concentrations, ratios (of two constituents; for example, isotope ratios), and delta notations (standard normalized stable isotope ratios).

58 GEOSCIENCES↗

DOE OSTI2020

On the advantages of exploiting memory in Markov state models for biomolecular dynamics

Biomolecular dynamics play an important role in numerous biological processes. Markov State Models (MSMs) provide a powerful approach to study these dynamic processes by predicting long time scale dynamics based on many short molecular dynamics (MD) simulations. In an MSM, protein dynamics are modeled as a kinetic process consisting of a series of Markovian transitions between different conformational states at discrete time intervals (called “lag time”). To achieve this, a master equation must be constructed with a sufficiently long lag time to allow interstate transitions to become truly Markovian. This imposes a major challenge for MSM studies of proteins since the lag time is bound by the length of relatively short MD simulations available to estimate the frequency of transitions. Here, we show how one can employ the generalized master equation formalism to obtain an exact description of protein conformational dynamics both at short and long time scales without the time resolution restrictions imposed by the MSM lag time. Using a simple kinetic model, alanine dipeptide, and WW domain, we demonstrate that it is possible to construct these quasi-Markov State Models (qMSMs) using MD simulations that are 5–10 times shorter than those required by MSMs. These qMSMs only contain a handful of metastable states and, thus, can greatly facilitate the interpretation of mechanisms associated with protein dynamics. A qMSM opens the door to the study of conformational changes of complex biomolecules where a Markovian model with a few states is often difficult to construct due to the limited length of available MD simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2002

Effects of Amine and Anhydride Curing Agents on the VARTM Matrix Processing Properties

To ensure successful application of composite structure for aerospace vehicles, it is necessary to develop material systems that meet a variety of requirements. The industry has recently developed a number of low-viscosity epoxy resins to meet the processing requirements associated with vacuum assisted resin transfer molding (VARTM) of aerospace components. The curing kinetics and viscosity of two of these resins, an amine-cured epoxy system, Applied Poleramic, Inc. VR-56-4 1, and an anhydride-cured epoxy system, A.T.A.R.D. Laboratories SI-ZG-5A, have been characterized for application in the VARTM process. Simulations were carried out using the process model, COMPRO, to examine heat transfer, curing kinetics and viscosity for different panel thicknesses and cure cycles. Results of these simulations indicate that the two resins have significantly different curing behaviors and flow characteristics.

Brian W Grimsley↗

DOE OSTI2021

Leveraging machine learning to improve understanding and predictability of weather/climate extremes and the resilience of human systems

Focal Area(s): Developing hybrid models for predicting weather/climate extremes at the intersection of the urban environment (focal area #2). Science Challenge: Limited by many sources of uncertainty, numerical models are unable to accurately simulate weather and climate processes and this problem is particularly acute for modeling extreme events, including hurricanes. Moreover, computational limits within these numerical models bound our ability to develop large ensembles to explore this uncertainty and the implications relative to characterization of risk and resilience within the human systems that are impacted by changes in extremes.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2014

Development of a Water Recovery System Resource Tracking Model

A simulation model has been developed to track water resources in an exploration vehicle using regenerative life support (RLS) systems. The model integrates the functions of all the vehicle components that affect the processing and recovery of water during simulated missions. The approach used in developing the model results in the RTM being a part of of a complete vehicle simulation that can be used in real time mission studies. Performance data for the variety of components in the RTM is focused on water processing and has been defined based on the most recent information available for the technology of the component. This paper will describe the process of defining the RLS system to be modeled and then the way the modeling environment was selected and how the model has been implemented. Results showing how the variety of RLS components exchange water are provided in a set of test cases.

Chambliss, Joe↗

NASA NTRS2018

Application of PoF Based Virtual Qualification Methods for Reliability Assessment of Mission Critical PCBs

Reliability is the ability of a product to perform the function for which it was intended for a specified period of time (or cycles) for a given set of life cycle conditions. In today's compressed mission development cycles where designing, building and testing the physical models has to occur in a matter of months not years, Projects don't have the luxury of iteratively building and testing those models. Physics of failure (PoF) is an engineering-based approach to reliability that begins with an understanding of materials, processes, physical interactions, degradation and failure mechanisms, as well as identifying failure models. The PoF approach uses modeling and simulation to qualify a design and manufacturing process, with the ultimate intent of eliminating failures early in the design process by addressing the root cause. The physics-of-failure analysis proactively incorporates reliability into the design process by establishing a scientific basis for evaluating new materials, structures and technologies. Virtual physics-of-failure modeling allows engineers to determine if new technological node can be added to an existing system. This presentation will illustrate an application of a PoF based tool during the initial phases of a printed circuit board assembly development and how the NASA GSFC team was able to dynamically study the effects of electronics parts and printed circuit board material configuration changes under simulated thermal and vibrational stresses

Electronics packaging↗

NASA NTRS2018

Application of PoF Based Virtual Qualification Methods for Reliability Assessment of Mission Critical PCBs

Physics of Failure↗

DOE OSTI2017

Process-Structure Linkages Using a Data Science Approach: Application to Simulated Additive Manufacturing Data

A novel data science workflow is developed and demonstrated to extract process-structure linkages (i.e., reduced-order model) for microstructure evolution problems when the final microstructure depends on (simulation or experimental) processing parameters. Our workflow consists of four main steps: data pre-processing, microstructure quantification, dimensionality reduction, and extraction/validation of process-structure linkages. These methods that can be employed within each step vary based on the type and amount of available data. In this paper, this data-driven workflow is applied to a set of synthetic additive manufacturing microstructures obtained using the Potts-kinetic Monte Carlo (kMC) approach. Additive manufacturing techniques inherently produce complex microstructures that can vary significantly with processing conditions. Using the developed workflow, a low-dimensional data-driven model was established to correlate process parameters with the predicted final microstructure. In addition, the modular workflows developed and presented in this work facilitate easy dissemination and curation by the broader community.

36 MATERIALS SCIENCE↗

NASA NTRS1999

Simulation of 1986 South China Sea Monsoon with a Regional Climate Model

A Regional Land-Atmosphere Climate Simulation System (RELACS) project is being developed at NASA Goddard Space Flight Center. One of the major goals of RELACS is to use a regional scale model with improved physical processes and in particular land-related processes, to understand the role of the land surface and its interaction with convection and radiation as well as the water/energy cycles in the IndoChina/South China Sea (SCS) region. The Penn State/NCAR MM5 atmospheric modeling system, a state of the art atmospheric numerical model designed to simulate regional weather and climate, has been successfully coupled to the Parameterization for Land-Atmosphere-Cloud Exchange (PLACE) land surface model. The original MM5 model (without PLACE) includes the option for either a simple slab soil model or a five-layer soil model (MRF) in which the soil moisture availability evolves over time. However, the MM5 soil models do not include the effects of vegetation, and thus important physical processes such as evapotranspiration and interception are precluded. The PLACE model incorporates vegetation type and has been shown in international comparisons to accurately predict evapotranspiration and runoff over a wide variety of land surfaces. The coupling of MM5 and PLACE creates a numerical modeling system with the potential to more realistically simulate atmosphere and land surface processes including land-sea interaction, regional circulations such as monsoons, and flash flood events. In addition, the Penn State/NCAR MM5 atmospheric modeling system has been: (1) coupled to the Goddard Ice Microphysical scheme; (2) coupled to a turbulent kinetic energy (TKE) scheme; (3) modified to ensure cloud budget balance; and (4) incorporated initialization with the Goddard EOS data sets at NASA/Goddard Laboratory for Atmospheres. The improved MM5 with two nested domains (60 and 20 km horizontal resolution) was used to simulate convective activity over IndoChina and the South China Sea, during the monsoon season, from May 6 to May 20, 1986. The model results captured several dominant observed features, such as twin cyclones, a depression system over the Bay of Bengal, strong south-westerly winds over IndoChina before and during the on-set of convection over the SCS, and a vortex over the SCS. Two additional MM5 runs with different land process models, Blackadar and MRF, were performed, and their results are compared to the run with PLACE. The preliminary results indicate that the MM5 results using PLACE and Blackadar are in very good agreement, but the results using MRF do not contain the south-westerly wind over IndoChina prior to the on-set of convection over the SCS.

Tao, W. -K.↗

NASA NTRS2003

Simulation of the Onset of the Southeast Asian Monsoon During 1997 and 1998: The Impact of Surface Processes

The onset of the southeast Asian monsoon during 1997 and 1998 was simulated with a coupled mesoscale atmospheric model (MM5) and a detailed land surface model. The rainfall results from the simulations were compared with observed satellite data fiom the TRMM (Tropical Rainfall Measuring Mission) TMI (TRMM Microwave Imager) and GPCP (Global Precipitation Climatology Project). The simulation with the land surface model captured basic signatures of the monsoon onset processes and associated rainfall statistics. The sensitivity tests indicated that land surface processes had a greater impact on the simulated rainfall results than that of a small sea surface temperature change during the onset period. In both the 1997 and 1998 cases, the simulations were significantly improved by including the land surface processes. The results indicated that land surface processes played an important role in modifying the low-level wind field over two major branches of the circulation; the southwest low-level flow over the Indo- China peninsula and the northern cold front intrusion from southern China. The surface sensible and latent heat exchange between the land and atmosphere modified the lowlevel temperature distribution and gradient, and therefore the low-level. The more realistic forcing of the sensible and latent heat from the detailed land surface model improved the monsoon rainfall and associated wind simulation.

Wang, Yansen↗

DOE OSTI2019

Multiscale model based design of an energy–intensified novel adsorptive reactor process for the water gas shift reaction

In this work, an adsorptive reactor (AR) process is considered that can energetically intensify the water gas shift reaction (WGSR). To best understand AR process behavior, a multiscale, dynamic, process model is developed. This multiscale model enables the quantification of catalyst and adsorbent effectiveness factors within the reactor environment, obliviating the commonly employed assumption that these factors are constant. Simulations of the AR's alternating adsorption-reaction/desorption operation, using the proposed model, illustrate rapid convergence to a long-term periodic solution. The obtained simulation results quantify the influence of key operating conditions and design parameters (e.g., reactor temperature/pressure, W cat /F CO , W ad /F CO , F H2O /F CO ratios, and pellet size) on the AR's behavior. Finally, they also demonstrate, for pellet diameters used at the industrial scale, significant temporal and axial variation of the catalyst/adsorbent pellet effectiveness factors. Finally, the energetic intensification benefits of the proposed AR process over conventional WGSR packed-bed reactors are quantified.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Diagnostic and model dependent uncertainty of simulated Tibetan permafrost area

We perform a land-surface model intercomparison to investigate how the simulation of permafrost area on the Tibetan Plateau (TP) varies among six modern stand-alone land-surface models (CLM4.5, CoLM, ISBA, JULES, LPJ-GUESS, UVic). Here, we also examine the variability in simulated permafrost area and distribution introduced by five different methods of diagnosing permafrost (from modeled monthly ground temperature, mean annual ground and air temperatures, air and surface frost indexes). There is good agreement (99 to 135 × 10 4 km 2 ) between the two diagnostic methods based on air temperature which are also consistent with the observation-based estimate of actual permafrost area (101 ×10 4 km 2 ). However the uncertainty (1 to 128 × 10 4 km 2 ) using the three methods that require simulation of ground temperature is much greater. Moreover simulated permafrost distribution on the TP is generally only fair to poor for these three methods (diagnosis of permafrost from monthly, and mean annual ground temperature, and surface frost index), while permafrost distribution using air-temperature-based methods is generally good. Model evaluation at field sites highlights specific problems in process simulations likely related to soil texture specification, vegetation types and snow cover. Models are particularly poor at simulating permafrost distribution using the definition that soil temperature remains at or below 0°C for 24 consecutive months, which requires reliable simulation of both mean annual ground temperatures and seasonal cycle, and hence is relatively demanding. Although models can produce better permafrost maps using mean annual ground temperature and surface frost index, analysis of simulated soil temperature profiles reveals substantial biases. The current generation of land-surface models need to reduce biases in simulated soil temperature profiles before reliable contemporary permafrost maps and predictions of changes in future permafrost distribution can be made for the Tibetan Plateau.

54 ENVIRONMENTAL SCIENCES↗