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NASA NTRS2000

Computer Simulations of Small Molecules in Membranes: Insights from Computer Simulations into the Interactions of Small Molecules with Lipid Bilayers

Two of Ernest Overton's lasting contributions to biology are the Meyer-Overton relationship between the potency of an anesthetic and its solubility in oil, and the Overton rule which relates the permeability of a membrane to the oil-water partition coefficient of the permeating molecule. A growing body of experimental evidence, however, cannot be reconciled with these theories. In particular, the molecular nature of membranes, unknown to Overton, needs to be included in any description of these phenomena. Computer simulations are ideally suited for providing atomic-level information about the behavior of small molecules in membranes. The authors discuss simulation studies relevant to Overton's ideas. Through simulations it was found that anesthetics tend to concentrate at interfaces and their anesthetic potency correlates better with solubility at the water-membrane interface than with solubility in oil. Simulation studies of membrane permeation revealed the anisotropic nature of the membranes, as evidenced, for example, by the highly nonuniform distribution of free volume in the bilayer. This, in turn, influences the diffusion rates of solutes, which increase with the depth in the membrane. Small solutes tend to move by hopping between voids in the bilayer, and this hopping motion may be responsible for the deviation from the Overton rule of the permeation rates of these molecules.

Pohorille, Andrew↗
NASA NTRS2001

Modeling, Modal Properties, and Mesh Stiffness Variation Instabilities of Planetary Gears

Planetary gear noise and vibration are primary concerns in their applications in helicopters, automobiles, aircraft engines, heavy machinery and marine vehicles. Dynamic analysis is essential to the noise and vibration reduction. This work analytically investigates some critical issues and advances the understanding of planetary gear dynamics. A lumped-parameter model is built for the dynamic analysis of general planetary gears. The unique properties of the natural frequency spectra and vibration modes are rigorously characterized. These special structures apply for general planetary gears with cyclic symmetry and, in practically important case, systems with diametrically opposed planets. The special vibration properties are useful for subsequent research. Taking advantage of the derived modal properties, the natural frequency and vibration mode sensitivities to design parameters are investigated. The key parameters include mesh stiffnesses, support/bearing stiffnesses, component masses, moments of inertia, and operating speed. The eigen-sensitivities are expressed in simple, closed-form formulae associated with modal strain and kinetic energies. As disorders (e.g., mesh stiffness variation. manufacturing and assembling errors) disturb the cyclic symmetry of planetary gears, their effects on the free vibration properties are quantitatively examined. Well-defined veering rules are derived to identify dramatic changes of natural frequencies and vibration modes under parameter variations. The knowledge of free vibration properties, eigen-sensitivities, and veering rules provide important information to effectively tune the natural frequencies and optimize structural design to minimize noise and vibration. Parametric instabilities excited by mesh stiffness variations are analytically studied for multi-mesh gear systems. The discrepancies of previous studies on parametric instability of two-stage gear chains are clarified using perturbation and numerical methods. The operating conditions causing parametric instabilities are expressed in closed-form suitable for design guidance. Using the well-defined modal properties of planetary gears, the effects of mesh parameters on parametric instability are analytically identified. Simple formulae are obtained to suppress particular instabilities by adjusting contact ratios and mesh phasing.

Parker, Robert G.↗
NASA NTRS1994

Goal Directed Model Inversion: Learning Within Domain Constraints

Goal Directed Model Inversion (GDMI) is an algorithm designed to generalize supervised learning to the case where target outputs are not available to the learning system. The output of the learning system becomes the input to some external device or transformation, and only the output of this device or transformation can be compared to a desired target. The fundamental driving mechanism of GDMI is to learn from success. Given that a wrong outcome is achieved, one notes that the action that produced that outcome "would have been right if the outcome had been the desired one." The algorithm makes use of these intermediate "successes" to achieve the final goal. A unique and potentially very important feature of this algorithm is the ability to modify the output of the learning module to force upon it a desired syntactic structure. This differs from ordinary supervised learning in the following way: in supervised learning the exact desired output pattern must be provided. In GDMI instead, it is possible to require simply that the output obey certain rules, i.e., that it "make sense" in some way determined by the knowledge domain. The exact pattern that will achieve the desired outcome is then found by the system. The ability to impose rules while allowing the system to search for its own answers in the context of neural networks is potentially a major breakthrough in two ways: 1) it may allow the construction of networks that can incorporate immediately some important knowledge, i.e. would not need to learn everything from scratch as normally required at present, and 2) learning and searching would be limited to the areas where it is necessary, thus facilitating and speeding up the process. These points are illustrated with examples from robotic path planning and parametric design.

Colombano, Silvano P.↗
NASA NTRS1994

Goal Directed Model Inversion: Learning Within Domain Constraints

Goal Directed Model Inversion (GDMI) is an algorithm designed to generalize supervised learning to the case where target outputs are not available to the learning system. The output of the learning system becomes the input to some external device or transformation, and only the output of this device or transformation can be compared to a desired target. The fundamental driving mechanism of GDMI is to learn from success. Given that a wrong outcome is achieved, one notes that the action that produced that outcome "would have been right if the outcome had been the desired one." The algorithm makes use of these intermediate "successes" to achieve the final goal. A unique and potentially very important feature of this algorithm is the ability to modify the output of the learning module to force upon it a desired syntactic structure. This differs from ordinary supervised learning in the following way: in supervised learning the exact desired output pattern must be provided. In GDMI instead, it is possible to require simply that the output obey certain rules, i.e., that it "make sense" in some way determined by the knowledge domain. The exact pattern that will achieve the desired outcome is then found by the system. The ability to impose rules while allowing the system to search for its own answers in the context of neural networks is potentially a major breakthrough in two ways: (1) it may allow the construction of networks that can incorporate immediately some important knowledge, i.e., would not need to learn everything from scratch as normally required at present; and (2) learning and searching would be limited to the areas where it is necessary, thus facilitating and speeding up the process. These points are illustrated with examples from robotic path planning and parametric design.

Colombano, Silvano P.↗
NASA NTRS2001

Use of Yohkoh SXT in Measuring the Net Current and CME Productivity of Active Regions

In our investigation of the correlation of global nonpotentiality of active regions to their CME productivity (Falconer, D.A. 2001, JGR, in press, and Falconer, Moore, & Gary, 2000, EOS 82, 20 S323), we use Yohkoh SXT images for two purposes. The first use is to help resolve the 180 degree ambiguity in the direction of the observed transverse magnetic field. Resolution of the 180 degree ambiguity is important, since the net current, one of our measures of global nonpotentiality, is derived from integrating the dot product of the transverse field around a contour (I(sub N)=(integral)BT(raised dot)dl). The ambiguity results from the observed transverse field being determined from the linear polarization, which gives the plane of the direction, but leaves a 180 degrees ambiguity. Automated methods to resolve the ambiguity ranging from the simple acute angle rule (Falconer, D.A. 2001) to the more sophisticated annealing method (Metcalf T.R. 1994). For many active regions, especially ones that are nearly potential these methods work well. But for very nonpotential active regions where the shear angle (the angle between the observed and potential transverse field) is near 90 degrees throughout large swaths along the main neutral line, both methods can resolve the ambiguity incorrectly for long segments of the neutral line. By determining from coronal images, such as those from Yohkoh/SXT, the sense of shear along the main neutral line in the active region, these cases can be identified and corrected by a modification of the acute angle rule described here. The second use of Yohkoh/SXT in this study is to check for the cusped coronal arcades of long-duration eruptive flares. This signature is an excellent proxy for CMEs, and was used by Canfield, Hudson, and McKenzie (1999 GRL V26, 6, 627-630). This work is funded by NSF through the Space Weather Program and by NASA through the Solar Physics Supporting Research and Technology Program.

Falconer, D. A.↗
NASA NTRS2001

Design of Critical Components

Critical component design is based on minimizing product failures that results in loss of life. Potential catastrophic failures are reduced to secondary failures where components removed for cause or operating time in the system. Issues of liability and cost of component removal become of paramount importance. Deterministic design with factors of safety and probabilistic design address but lack the essential characteristics for the design of critical components. In deterministic design and fabrication there are heuristic rules and safety factors developed over time for large sets of structural/material components. These factors did not come without cost. Many designs failed and many rules (codes) have standing committees to oversee their proper usage and enforcement. In probabilistic design, not only are failures a given, the failures are calculated; an element of risk is assumed based on empirical failure data for large classes of component operations. Failure of a class of components can be predicted, yet one can not predict when a specific component will fail. The analogy is to the life insurance industry where very careful statistics are book-kept on classes of individuals. For a specific class, life span can be predicted within statistical limits, yet life-span of a specific element of that class can not be predicted.

Hendricks, Robert C.↗
NASA NTRS1999

The Effect of Shared Information on Pilot/Controller And Controller/Controller Interactions

In order to respond to the increasing demand on limited airspace system resources, a number of applications of information technology have been proposed, or are under investigation, to improve the efficiency, capacity and reliability of ATM (Asynchronous Transfer Mode) operations. Much of the attention in advanced ATM technology has focused on advanced automation systems or decision aiding systems to improve the performance of individual Pilots or Controllers. However, the most significant overall potential for information technology appears to he in increasing the shared information between human agents such as Pilots, Controllers or between interacting Controllers or traffic flow managers. Examples of proposed shared information systems in the US include; Controller Pilot Databank Communication (CPDLC), Traffic Management Advisor (TMA); Automatic Dependent Surveillance (ADS); Collaborative Decision Making (CDM) and NAS Level Common Information Exchange. Air Traffic Management is fundamentally a human centered process consisting of the negotiation, execution and monitoring of contracts between human agents for the allocation of limited airspace, runway and airport surface resources. The decision processes within ATM tend to be Semistructured. Many of the routine elements in ATM decision making on the part of the Controllers or Pilots are well Structured and can be represented by well defined rules or procedures. However in disrupted conditions, the ATM decision processes are often Unstructured and cannot be reduced to a set of discrete rules. As a consequence, the ability to automate ATM processes will be limited and ATM will continue to be a human centric process where the responsibility and the authority for the negotiation will continue to rest with human Controllers and Pilots. The use of information technology to support the human decision process will therefore be an important aspect of ATM modernization. The premise of many of the proposed shared information systems is that the performance of ATM operations will improve with an increase in Shared Situation Awareness between agents (Pilots, Controller, Dispatchers). This will allow better informed control decisions and an improved ability to negotiate between agents. A common information basis may reduce communication load and may increase the level of collaboration in the decision process. In general, information sharing is expected to have advantages for all agents within the system. However there are important questions which remain to be,addressed. For example: What shared information is most important for developing effective Shared Situation Awareness? Are there issues of information saturation? Does information parity create ambiguity in control authority? Will information sharing induce undesirable or unstable gaming behavior between agents? This paper will explore the effect of current and proposed information sharing between different ATM agents. The paper will primarily concentrate on bilateral tactical interactions between specific agents (Pilot/Controller; Controller/Controller; Pilot/Dispatcher; Controller/Dispatcher) however it will also briefly discuss multilateral interaction and more strategic interactions.

Hansman, R. John↗
NASA NTRS1996

Perceptual Classification Images from Vernier Acuity Masked by Noise

Letting external noise rather than internal noise limit discrimination performance allows information to be extracted about the observer's stimulus classification rule. A perceptual classification image is the correlation over trials between the noise amplitude at a spatial location and the observer's responses. If, for example, the observer followed the rule of the ideal observer, the perceptual classification image would be an estimate of the ideal observer filter, the difference between the two unmasked images being discriminated. Perceptual classification images were estimated for a vernier discrimination task. The display screen had 48 pixels per degree horizontally and vertically. The no-offset image had a dark horizontal line of 4 pixels, a 1 pixel space, and 4 more dark pixels. Classification images were based on 1600 discrimination trials with the line contrast adjusted to keep the error rate near 25 percent. In the offset image, the second line was one pixel higher. Unlike the ideal observer filter (a horizontal dipole), the observer perceptual classification images are strongly oriented. Fourier transforms of the classification images had a peak amplitude near one cycle per degree and an orientation near 25 degrees. The spatial spread is much more than image blur predicts, and probably indicates the spatial position uncertainty in the task.

Ahumada, A. J.↗
NASA NTRS1996

Fuzzy Q-Learning for Generalization of Reinforcement Learning

Fuzzy Q-Learning, introduced earlier by the author, is an extension of Q-Learning into fuzzy environments. GARIC is a methodology for fuzzy reinforcement learning. In this paper, we introduce GARIC-Q, a new method for doing incremental Dynamic Programming using a society of intelligent agents which are controlled at the top level by Fuzzy Q-Learning and at the local level, each agent learns and operates based on GARIC. GARIC-Q improves the speed and applicability of Fuzzy Q-Learning through generalization of input space by using fuzzy rules and bridges the gap between Q-Learning and rule based intelligent systems.

Berenji, Hamid R.↗
NASA NTRS1997

Steady-State Pursuit Is Driven by Object Motion Rather Than the Vector Average of Local Motions

We have previously shown that humans can pursue the motion of objects whose trajectories can be recovered only by spatio-temporal integration of local motion signals. We now explore the integration rule used to derive the target-motion signal driving pursuit. We measured the pursuit response of 4 observers (2 naive) to the motion of a line-figure diamond viewed through two vertical bar apertures (0.2 cd/square m). The comers were always occluded so that only four line segments (93 cd/square m) were visible behind the occluding foreground (38 cd/square m). The diamond was flattened (40 & 140 degree vertex angles) such that vector averaging of the local normal motions and vertical integration (e.g. IOC) yield very I or different predictions, analogous to using a Type II plaid. The diamond moved along Lissajous-figure trajectories (Ax = Ay = 2 degrees; TFx = 0.8 Hz; TFy = 0.4 Hz). We presented only 1.25 cycles and used 6 different randomly interleaved initial relative phases to minimize the role of predictive strategies. Observers were instructed to track the diamond and reported that its motion was always coherent (unlike type II plaids). Saccade-free portions of the horizontal and vertical eye-position traces sampled at 240 Hz were fit by separate sinusoids. Pursuit gain with respect to the diamond averaged 0.7 across subjects and directions. The ratio of the mean vertical to horizontal amplitude of the pursuit response was 1.7 +/- 0.7 averaged across subjects (1SD). This is close to the prediction of 1.0 from vertical motion-integration rules, but far from 7.7 predicted by vector averaging and infinity predicted by segment- or terminator-tracking strategies. Because there is no retinal motion which directly corresponds to the diamond's motion, steady-state pursuit of our "virtual" diamond is not closed-loop in the traditional sense. Thus, accurate pursuit is unlikely to result simply from local retinal negative feedback. We conclude that the signal driving steady-state pursuit is not the vector average of local motion signals, but rather a more vertical estimate of object motion, derived in extrastriate cortical areas beyond V1, perhaps NIT or MST.

Stone, Leland S.↗
NASA NTRS1998

Electronic Properties of Carbon Nanotubes and Junctions

Metallic and semiconducting Single Wall Carbon Nanotubes (CNT) have recently been characterized using scanning tunneling microscopy (STM) and the manipulation of individual CNT has been demonstrated. These developments make the prospect of using CNT as molecular wires and possibly as electronic devices an even more interesting one. We have been modeling various electronic properties such as the density of states and the transmission coefficient of CNT wires and junctions. These studies involve first calculating the stability of junctions using molecular dynamics simulations and then calculating the electronic properties using a pi-electron tight binding Hamiltonian. We have developed the expertise to calculate the electronic properties of both finite-sized CNT and CNT systems with semi-infinite boundary conditions. In this poster, we will present an overview of some of our results. The electronic application of CNT that is most promising at this time is their use as molecular wires. The conductance can however be greatly reduced because of reflection due to defects and contacts. We have modeled the transmission through CNT in the presence of two types of defects: weak uniform disorder and strong isolated scatterers. We find that the conductance is affected in significantly different manners due to these defects Junctions of CNT have also been imaged using STM. This makes it essential to derive rules for the formation of junctions between tubes of different chirality, study their relative energies and electronic properties. We have generalized the rules for connecting two different CNT and have calculated the transmission and density of states through CNT junctions. Metallic and semiconducting CNT can be joined to form a stable junction and their current versus voltage characteristics are asymmetric. CNT are deformed by the application of external forces including interactions with a substrate or other CNT. In many experiments, these deformation are expected to occur naturally. We will present some preliminary results of our calculations of the modification of CNT electronic properties as a result of deformations.

Anantram, M. P.↗
NASA NTRS2002

Smart Aerospace eCommerce: Using Intelligent Agents in a NASA Mission Services Ordering Application

This paper describes how intelligent agent technology was successfully prototyped and then deployed in a smart eCommerce application for NASA. An intelligent software agent called the Intelligent Service Validation Agent (ISVA) was added to an existing web-based ordering application to validate complex orders for spacecraft mission services. This integration of intelligent agent technology with conventional web technology satisfies an immediate NASA need to reduce manual order processing costs. The ISVA agent checks orders for completeness, consistency, and correctness, and notifies users of detected problems. ISVA uses NASA business rules and a knowledge base of NASA services, and is implemented using the Java Expert System Shell (Jess), a fast rule-based inference engine. The paper discusses the design of the agent and knowledge base, and the prototyping and deployment approach. It also discusses future directions and other applications, and discusses lessons-learned that may help other projects make their aerospace eCommerce applications smarter.

Moleski, Walt↗
NASA NTRS1999

Electro-mechanical Properties of Carbon Nanotubes: Effect of Small Tensile and Torsional Strains

We present a simple picture to calculate the bandgap ($E_g$) of carbon nanotubes (CNT) in the presence of uniform torsional and tensile strain ($\sigma$). We find that under tensile strain, $ absolute value of dE_g/d\sigma$ of zig-zag tubes is approximately equal to $3t_0$, where $t_0$ is the hopping parameter. Further, $ absolute value of dE_g/d\sigma$ decreases as the chirality changes to armchair, where it takes the value zero. The sign of $dE_g/d\sigma$ follows the $(N_x-N_y) *mod 3$(equal to - 1, 0 and +1) rule. In contrast to the above, we show that under torsional strain, $absolute value of dE_g/d\sigma$ of armchair tubes is approximately equal to $3t_0$ and continually decreases as the chirality changes to zig-zag, where is takes a small value. The sign of $dE_g/d\sigma$ again follows the $(N_x-N_y)*mod 3$ rule. Finally, we predict a change in the sign of $dE_g/d\sigma$ as function of strain, corresponding to a change in the value of $q$ that corresponds to the bandgap minimum.

Anantram, M. P.↗
NASA NTRS1994

Blowout Monitor

C Language Integrated Production System (CLIPS), a NASA-developed software shell for developing expert systems, has been embedded in a PC-based expert system for training oil rig personnel in monitoring oil drilling. Oil drilling rigs if not properly maintained for possible blowouts pose hazards to human life, property and the environment may be destroyed. CLIPS is designed to permit the delivery of artificial intelligence on computer. A collection of rules is set up and, as facts become known, these rules are applied. In the Well Site Advisor, CLIPS provides the capability to accurately process, predict and interpret well data in a real time mode. CLIPS was provided to INTEQ by COSMIC.

Source record↗
NASA NTRS2002

Conceptual Design of a Supersonic Business Jet Propulsion System

NASA's Ultra-Efficient Engine Technology Program (UEETP) is developing a suite of technology to enhance the performance of future aircraft propulsion systems. Areas of focus for this suite of technology include: Highly Loaded Turbomachinery, Emissions Reduction, Materials and Structures, Controls, and Propulsion-Airframe Integration. The two major goals of the UEETP are emissions reduction of both landing and take-off nitrogen oxides (LTO-NO(x)) and mission carbon dioxide (CO2) through fuel burn reductions. The specific goals include a 70 percent reduction in the current LTO-NO(x) rule and an 8 percent reduction in mission CO2 emissions. In order to gain insight into the potential applications and benefits of these technologies on future aircraft, a set of representative flight vehicles was selected for systems level conceptual studies. The Supersonic Business Jet (SBJ) is one of these vehicles. The particular SBJ considered in this study has a capacity of 6 passengers, cruise Mach Number of 2.0, and a range of 4,000 nautical miles. Without the current existence of an SBJ the study of this vehicle requires a two-phased approach. Initially, a hypothetical baseline SBJ is designed which utilizes only current state of the art technology. Finally, an advanced SBJ propulsion system is designed and optimized which incorporates the advanced technologies under development within the UEETP. System benefits are then evaluated and compared to the program and design requirements. Although the program goals are only concerned with LTO-NO(x) and CO2 emissions, it is acknowledged that additional concerns for an SBJ include take-off noise, overland supersonic flight, and cruise NO(x) emissions at high altitudes. Propulsion system trade-offs in the conceptual design phase acknowledge these issues as well as the program goals. With the inclusion of UEETP technologies a propulsion system is designed which performs at 81% below the LTO-NO(x) rule, and reduces fuel burn by 23 percent compared to the current technology.

Bruckner, Robert J.↗
NASA NTRS1989

Expert System Software

C Language Integrated Production System (CLIPS) is a software shell for developing expert systems is designed to allow research and development of artificial intelligence on conventional computers. Originally developed by Johnson Space Center, it enables highly efficient pattern matching. A collection of conditions and actions to be taken if the conditions are met is built into a rule network. Additional pertinent facts are matched to the rule network. Using the program, E.I. DuPont de Nemours & Co. is monitoring chemical production machines; California Polytechnic State University is investigating artificial intelligence in computer aided design; Mentor Graphics has built a new Circuit Synthesis system, and Brooke and Brooke, a law firm, can determine which facts from a file are most important.

Source record↗
NASA NTRS2002

CATS-based Air Traffic Controller Agents

This report describes intelligent agents that function as air traffic controllers. Each agent controls traffic in a single sector in real time; agents controlling traffic in adjoining sectors can coordinate to manage an arrival flow across a given meter fix. The purpose of this research is threefold. First, it seeks to study the design of agents for controlling complex systems. In particular, it investigates agent planning and reactive control functionality in a dynamic environment in which a variety perceptual and decision making skills play a central role. It examines how heuristic rules can be applied to model planning and decision making skills, rather than attempting to apply optimization methods. Thus, the research attempts to develop intelligent agents that provide an approximation of human air traffic controller behavior that, while not based on an explicit cognitive model, does produce task performance consistent with the way human air traffic controllers operate. Second, this research sought to extend previous research on using the Crew Activity Tracking System (CATS) as the basis for intelligent agents. The agents use a high-level model of air traffic controller activities to structure the control task. To execute an activity in the CATS model, according to the current task context, the agents reference a 'skill library' and 'control rules' that in turn execute the pattern recognition, planning, and decision-making required to perform the activity. Applying the skills enables the agents to modify their representation of the current control situation (i.e., the 'flick' or 'picture'). The updated representation supports the next activity in a cycle of action that, taken as a whole, simulates air traffic controller behavior. A third, practical motivation for this research is to use intelligent agents to support evaluation of new air traffic control (ATC) methods to support new Air Traffic Management (ATM) concepts. Current approaches that use large, human-in-the-loop simulations are unquestionably valuable for this purpose, but pose considerable logistical, fiscal, and experimental control problems. First, data analysis is extremely complicated, owing simply to the large number of participants and data sources in such simulations. In addition, experienced human air traffic controllers working adjacent sectors tend to flexibly adapt to the evolving control problem - potentially shifting to other strategies than those under investigation. In addition, their performance is tightly coupled to the control interface, which in the development phase may support some concepts and supporting strategies better than others. A simple shift in strategy by one controller can change the character of a particular traffic scenario dramatically, which makes experimental comparison of ATC performance under different traffic scenarios difficult. Training a given team of controllers on operations under a new ATM concept for a sufficient period of time could avert such difficulties, but instituting an adequate training program is expensive and logistically difficult.

Callantine, Todd J.↗
NASA NTRS2002

A Method of Separation Assurance for Instrument Flight Procedures at Non-Radar Airports

A method to provide automated air traffic separation assurance services during approach to or departure from a non-radar, non-towered airport environment is described. The method is constrained by provision of these services without radical changes or ambitious investments in current ground-based technologies. The proposed procedures are designed to grant access to a large number of airfields that currently have no or very limited access under Instrument Flight Rules (IFR), thus increasing mobility with minimal infrastructure investment. This paper primarily addresses a low-cost option for airport and instrument approach infrastructure, but is designed to be an architecture from which a more efficient, albeit more complex, system may be developed. A functional description of the capabilities in the current NAS infrastructure is provided. Automated terminal operations and procedures are introduced. Rules of engagement and the operations are defined. Results of preliminary simulation testing are presented. Finally, application of the method to more terminal-like operations, and major research areas, including necessary piloted studies, are discussed.

Conway, Sheila R.↗