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Computer-generated imagery processed with corrective phase shifts at lower frequencies. Algorithm developed from transfer functions predicting lower-frequency components of response of aircraft short time into future. Effects of delay at lower frequencies counteracted by introducing compensatory phase shifts, opposite those caused by delay, into signals driving computer-generated imagery.
Interest in operational cost reduction is driving engine manufacturers to consider lower-cost fuel substitution in heavy-duty diesel engines. These dual-fuel (DF) engines could be operated either in diesel-only mode or operated with premixed natural gas (NG) ignited by a pilot flame of compression-ignited direct-injected diesel fuel. One promising application is that of large-bore, medium-speed engines such as those used in locomotives. With realistic natural gas substitution levels in the fleet of locomotives currently in service, such fuel substitution could result in billions of dollars of savings annually in the US alone. However, under certain conditions, dual-fuel operation can result in increased cycle-to-cycle variability (CCV) during combustion, resulting in variations in cylinder pressure and work extraction. In certain situations, the CCV of dual-fuel operation can be notably higher than that of diesel-only combustion under similar operating conditions. Excessive CCV can limit the NG substitution rate and operating range of a dual-fuel engine by increasing emissions and reducing engine stability, reliability and fuel efficiency via incomplete natural-gas combustion. Running multiple engine cycles in series to simulate CCV can be quite time consuming. Hence innovative modelling techniques and large computing resources are needed to investigate the factors affecting CCV in dual-fuel engines. This paper discusses the use of the High Performance Computing resource Titan, at the Oak Ridge Leadership Computing Facility at Oak Ridge National Laboratory, to investigate cycle-to-cycle combustion variability of a dual-fuel engine. The CONVERGE CFD software was used to simulate multiple, parallel single cycles of dual-fuel combustion with perturbed operating parameters and boundary conditions. These perturbations are imposed according to a sparse grids sampling of the parameter space. The sampling scheme chosen is similar to a design of experiments method but uses functions designed to minimize the number of samples required to achieve a desired degree of accuracy. The perturbed input parameters were connected to engine performance output over a large parameter space. Additionally, the same methodology was used to perform a set of diesel-only simulations at similar operating conditions to assess the numerical capability of capturing relatively low combustion variation. Lastly, this technique is expected to be useful to understand and predict combustion stability limits (knock and misfire) which are important for designing dual-fuel engines with improved operability and reliability.
Aircraft dynamic analyses are demanding of computer simulation capabilities. The modeling complexities of semi-monocoque construction, irregular geometry, high-performance materials, and high-accuracy analysis are present. At issue are the safety of the passengers and the integrity of the structure for a wide variety of flight-operating and emergency conditions. The technology which supports engineering of aircraft structures using computer simulation is examined. Available computer support is briefly described and improvement of accuracy and efficiency are recommended. Improved accuracy of simulation will lead to a more economical structure. Improved efficiency will result in lowering development time and expense.
Water shows intriguing thermodynamic and dynamic anomalies in the supercooled liquid state. One possible explanation of the origin of these anomalies lies in the existence of a metastable liquid-liquid phase transition (LLPT) between two (high and low density) forms of water. While the anomalies are observed in experiments on bulk and confined water and by computer simulation studies of different water-like models, the existence of a LLPT in water is still debated. Unambiguous experimental proof of the existence of a LLPT in bulk supercooled water is hampered by fast ice nucleation which is a precursor of the hypothesized LLPT. Moreover, the hypothesized LLPT, being metastable, in principle cannot exist in the thermodynamic limit (infinite size, infinite time). Therefore, computer simulations of water models are crucial for exploring the possibility of the metastable LLPT and the nature of the anomalies. In this work, we present new simulation results in the NVT ensemble for one of the most accurate classical molecular models of water, TIP4P/2005. To describe the computed properties and explore the possibility of a LLPT, we have applied two-structure thermodynamics, viewing water as a non-ideal mixture of two interconvertible local structures (“states”). The results suggest the presence of a liquid-liquid critical point and are consistent with the existence of a LLPT in this model for the simulated length and time scales. We have compared the behavior of TIP4P/2005 with other popular water-like models, namely, mW and ST2, and with real water, all of which are well described by two-state thermodynamics. In view of the current debate involving different studies of TIP4P/2005, we discuss consequences of metastability and finite size in observing the liquid-liquid separation. We also address the relationship between the phenomenological order parameter of two-structure thermodynamics and the microscopic nature of the low-density structure.
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Phycocyanin 645 (PC645) is a closed-form lightharvesting complex found in the lumen of the photosynthetic membrane of cryptophyte algae. These peripheral antenna complexes contain bilin chromophores that absorb sunlight and transfer excitation energy to the core antenna complexes embedded in the thylakoid membrane. The location of cryptophyte antenna complex on the luminal side of the membrane is unusual. During photosynthetic activity, the pH of the lumen drops, by up to two pH units. There is little known about how this pH-change affects the light-harvesting complexes. In this study, we report multiscale simulations using a computationally efficient density functional tight-binding framework to investigate the spectroscopy and excitation energy transfer in the PC645 complex. Complementary experiments were conducted using both steady-state and time-resolved spectroscopic measurements at low, neutral, and high pH values. Our study shows that (de)protonation of specific bilin pigments, namely, the mesobiliverdins (MBVs), modulates the excitation energies, excitonic couplings, and spectral densities. These changes cause excitation transfer rates to increase by up to a factor of two to three, leading to pH-dependent energy transfer pathways in the complex. Using this model, we calculated the pH-dependent fluorescence quantum yield of the system, obtaining quantitative agreement with the experimental results. These computational simulations, supported by experiments, identify MBVs as a more prominent excitation sink than previously realized, and that this role is tuned by pH.
The ultimate goal for radiation transport is to perform full-core reactor modelling and simulation. Advances in computational simulation bring this goal close to reality and the newest Monte Carlo transport codes have begun to shift to using accelerators that have become a stalwart in the supercomputing and HPC space. Within the reactor modelling and simulation community, Monte Carlo transport simulations are considered the gold standard for simulation. Through the use of "combinatorial geometry" (constructive solid geomtry), complex models can be used with fewer approximation compromises while at the same time scale to run on some of the largest supercomputers in the world.Unfortunately, the state-of-the-art for "combinatorial geometry" visualization is to decompose the geometry into a mesh. This approach could require a significant amount of memory which is antithetical to in situ visualization. To address this issue, we introduce a ray caster for visualizing combinatorial geometry in radiation transport code. By only using the accelerators for the radiation transport code and leaving the CPU cores idle, there is an opportunity to conduct on node in situ visualization with the idle CPU cores, something domain experts have up to this point been unable to do. By utilizing VTK-m, the visualization can be run on the CPU as this particular application demands, but also run on any architecture that is supported by VTK-m, enabling future re-use across different platforms.
y Reverse-mode algorithmic differentiation (AD) is an established method for obtaining adjoint derivatives of computer simulation applications. In computational fluid dynamics (CFD), adjoint derivatives of a cost function output such as drag or lift with respect to design parameters such as surface coordinates or geometry control points are a key ingredient for shape optimization, uncertainty quantification and flow control. The computational cost of CFD applications and their derivatives makes it essential to use high-performance computing hardware efficiently, including multi- and many-core architectures. Nevertheless, OpenMP is not supported in most AD tools, and previously shown methods achieve poor scalability of the derivative code. We present the AD of an OpenMP-parallelized finite volume compressible flow solver for unstructured meshes. Our approach enables us to reuse the parallelization of the original code in the computation of adjoint derivatives. The method works by identifying code segments that can be differentiated in reverse-mode without changing their memory access pattern. The OpenMP parallelization is integrated into the derivative code during the build process in a way that is robust to modifications of the original code and independent of the OpenMP support of the differentiation tool. We show the scalability of our adjoint CFD solver on test cases ranging from thousands to millions of finite volume mesh cells on CPUs with up to 16 threads as well as on an Intel XeonPhi card with 236 threads. We demonstrate that our approach is more practical to implement for production-sized CFD codes and produces more efficient adjoint derivative code than previously shown AD methods.
In this paper, the fundamental concepts and equations necessary for performing small angle X-ray scattering (SAXS) experiments, molecular dynamics (MD) simulations, and MDSAXS analyses were reviewed. Furthermore, several key biological and non-biological applications for SAXS, MD, and MD-SAXS are presented in this review; however, this article does not cover all possible applications. SAXS is an experimental technique used for the analysis of a wide variety of biological and non-biological structures. SAXS utilizes spherical averaging to produce one- or two-dimensional intensity profiles, from which structural data may be extracted. MD simulation is a computer simulation technique that is used to model complex biological and non-biological systems at the atomic level. MD simulations apply classical Newtonian mechanics’ equations of motion to perform force calculations and to predict the theoretical physical properties of the system. This review presents several applications that highlight the ability of both SAXS and MD to study protein folding and function in addition to non-biological applications, such as the study of mechanical, electrical, and structural properties of non-biological nanoparticles. Lastly, the potential benefits of combining SAXS and MD simulations for the study of both biological and non-biological systems are demonstrated through the presentation of several examples that combine the two techniques.
An experiment designed to test and guide computations of the interaction of an impinging shock wave with a turbulent boundary layer is described. Detailed mean flow-field and surface data are presented for two shock strengths which resulted in attached and separated flows, respectively. Numerical computations, employing the complete time-averaged Navier-Stokes equations along with algebraic eddy-viscosity and turbulent Prandtl number models to describe shear stress and heat flux, are used to illustrate the dependence of the computations on the particulars of the turbulence models. Models appropriate for zero-pressure-gradient flows predicted the overall features of the flow fields, but were deficient in predicting many of the details of the interaction regions. Improvements to the turbulence model parameters were sought through a combination of detailed data analysis and computer simulations which tested the sensitivity of the solutions to model parameter changes. Computer simulations using these improvements are presented and discussed.
A thoroughly documented experiment is reported that was specifically designed to test and guide computations of the interaction of an impinging shock wave with a turbulent boundary layer. Detailed mean flow field and surface data are presented for two shock strengths which resulted in attached and separated flows, respectively. Numerical computations are used to illustrate the dependence of the computations on the particulars of the turbulence models. Models appropriate for zero pressure gradient flows predicted the overall features of the flow fields, but were deficient in predicting many of the details of the interaction regions. Improvements to the turbulence model parameters were sought through a combination of detailed data analysis and computer simulations which tested the sensitivity of the solutions to model parameter changes. Computer simulations using these improvements are presented and discussed.
An optimum maintenance cost model for the space telescope for a fifteen year mission cycle was developed. Various documents and subsequent updates of failure rates and configurations were made. The reliability of the space telescope for one year, two and one half years, and five years were determined using the failure rates and configurations. The failure rates and configurations were also used in the maintenance simulation computer model which simulate the failure patterns for the fifteen year mission life of the space telescope. Cost algorithms associated with the maintenance options as indicated by the failure patterns were developed and integrated into the model.
Recently, the United States has increased its activities related to aircraft icing in numerous fields: ice phobics, revised characterization of icing conditions, instrument development/evaluation, de-ice/anti-ice devices, simulated supercooled clouds, computer simulation and flight tests. The Federal Coordinator for Meteorology is involved in two efforts, one a National Plan on Aircraft Icing and the other a plan for Improved Aircraft Icing Forecasts and Associated Warning Services. These two plans will provide an approved structure for future U.S. activities related to aircraft icing. The recommended activities will significantly improve the position of government agencies to perform mandated activities and to enable U.S. manufacturers to be competitive in the world market.
This brochure presents a general discussion of the role of computers in aerospace research at NASA's Lewis Research Center (LeRC). Four particular areas of computer applications are addressed: computer modeling and simulation, computer assisted engineering, data acquisition and analysis, and computer controlled testing.
We describe a neural network based robotic system. Unlike traditional robotic systems, our approach focussed on non-stationary problems. We indicate that self-organization capability is necessary for any system to operate successfully in a non-stationary environment. We suggest that self-organization should be based on an active exploration process. We investigated neural architectures having novelty sensitivity, selective attention, reinforcement learning, habit formation, flexible criteria categorization properties and analyzed the resulting behavior (consisting of an intelligent initiation of exploration) by computer simulations. While various computer vision researchers acknowledged recently the importance of active processes (Swain and Stricker, 1991), the proposed approaches within the new framework still suffer from a lack of self-organization (Aloimonos and Bandyopadhyay, 1987; Bajcsy, 1988). A self-organizing, neural network based robot (MAVIN) has been recently proposed (Baloch and Waxman, 1991). This robot has the capability of position, size rotation invariant pattern categorization, recognition and pavlovian conditioning. Our robot does not have initially invariant processing properties. The reason for this is the emphasis we put on active exploration. We maintain the point of view that such invariant properties emerge from an internalization of exploratory sensory-motor activity. Rather than coding the equilibria of such mental capabilities, we are seeking to capture its dynamics to understand on the one hand how the emergence of such invariances is possible and on the other hand the dynamics that lead to these invariances. The second point is crucial for an adaptive robot to acquire new invariances in non-stationary environments, as demonstrated by the inverting glass experiments of Helmholtz. We will introduce Pavlovian conditioning circuits in our future work for the precise objective of achieving the generation, coordination, and internalization of sequence of actions.
This paper presents the results of a transient computer simulation that was developed to study phase change energy storage techniques for Space Station Freedom (SSF) solar dynamic (SD) power systems. Such SD systems may be used in future growth SSF configurations. Two solar dynamic options are considered in this paper: Brayton and Rankine. Model elements consist of a single node receiver and concentrator, and takes into account overall heat engine efficiency and power distribution characteristics. The simulation not only computes the energy stored in the receiver phase change material (PCM), but also the amount of the PCM required for various combinations of load demands and power system mission constraints. For a solar dynamic power system in low earth orbit, the amount of stored PCM energy is calculated by balancing the solar energy input and the energy consumed by the loads corrected by an overall system efficiency. The model assumes an average 75 kW SD power system load profile which is connected to user loads via dedicated power distribution channels. The model then calculates the stored energy in the receiver and subsequently estimates the quantity of PCM necessary to meet peaking and contingency requirements. The model can also be used to conduct trade studies on the performance of SD power systems using different storage materials.
Satellite communications channels are susceptible to various sources of interference. Wideband channels have a proportionally greater probability of receiving interference than narrowband channels. NASA's Advanced Communications Technology Satellite (ACTS) includes a 900 MHz bandwidth hardlimiting transponder which has provided an opportunity for the study of interference effects of wideband channels. A series of interference tests using two independent ACTS ground terminals measured the effects of continuous-wave (CW) uplink interference on the bit-error rate of a 220 Mbps digitally modulated carrier. These results indicate the susceptibility of high data rate transmissions to CW interference and are compared to results obtained with a laboratory hardware-based system simulation and a computer simulation.
The musculoskeletal (MS) system of astronauts is subject to physiological changes, potentially leading to injuries due to the exposure to different gravitational environments experienced during spaceflight. These injuries can occur while an astronaut is performing an Extravehicular Activity (EVA) in space, on lunar or planetary surfaces or while wearing a spacesuit during terrestrial training for an EVA. The OpenSim MS modeling software can assess EVA induced MS injury mechanisms such as muscle strains, ligament injuries and joint injuries. One area of concern, since there are only a few different spacesuit sizes with limited adjustability, is the possibility of a poorly fitting spacesuit. This can cause unnatural joint motions and torques resulting in various MS injuries. A credibility assessment of the OpenSim modeling and simulation procedures is performed per NASA-STD-7009A to provide information on the credibility of the model’s use in simulating EVA related injury mechanisms. The credibility assessment evaluated various OpenSim models against the following eight credibility factors: data pedigree, input pedigree, code verification, solution verification, conceptual validation, referent validation, results uncertainty and results robustness (sensitivity). The models evaluated for EVA injuries will require additional credibility factor analysis and upgrades to the model features, such as adding ligaments to a whole-body model, to reliably predict and analyze the EVA injuries expected to occur due to a poor spacesuit fit. The degree of elevation strategy required to increase the credibility assessment scores will depend on the model complexity and the injury mechanism.