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NASA NTRS1998

LAPS Lidar Measurements at the ARM Alaska Northslope Site (Support to FIRE Project)

This report consists of data summaries of the results obtained during the May 1998 measurement period at Barrow Alaska. This report does not contain any data interpretation or analysis of the results which will follow this activity. This report is forwarded with a data set on magnetic media which contains the reduced data from the LAPS lidar in 15 minute intervals. The data was obtained during the period 15-30 May 1998. The measurement period overlapped with several aircraft flights conducted by NASA as part of the FIRE project. The report contains a summary list of the data obtained plus figures that have been prepared to help visualize the measurement periods. The order of the presentation is as follows: Section 1. A copy of the Statement of Work for the planned activity of the second measurement period at the ARM Northslope site is provided. Section 2. A list of the data collection periods shows the number of one minute data records stored during each hour of operation and the corresponding size (Mbytes) of the one hour data folders. The folder and file names are composed from the year, month, day, hour and minute. The date/time information is given in UTC for easier comparison with other data sets. Section 3. A set of 4 comparisons between the LAPS lidar results and the sondes released by the ARM scientists from a location nearby the lidar. The lidar results show the +/- 1 sigma statistical error on each of the independent 75 m altitude bins of the data. This set of 4 comparisons was used to set and validate the calibration value which was then used for the complete data set. Section 4. A set of false color figures with up to 10 hours of specific humidity measurements are shown in each graph. Two days of measurements are shown on each page. These plots are crude representations of the data and permit a survey which indicates when the clouds were very low or where interesting events may occur in the results. These plots are prepared using the real time sequence plot program which has no smoothing in either the altitude or time (except that you are allowed to pick the integration time and time step. All of these plots were prepared with 15 minute integration and 5 minute time step. Section 5. A set of time sequence data for all of the extended observation periods are shown with a smoothing algorithm from the Matlab plotting library. Most of these data are integrated for 5 minutes and stepped at I minute intervals but several plots are shown with both 15 minute integration and 5 minute steps. The upper level on these data was selected and converted to the white background where the error in the specific humidity reached 25%. Section 6. The set of one hour integrated plots shown with up to 4 hours per page are provided- from the real time analysis snapshot program. The only difference in these plots and the real time display is that the plots are stopped at an altitude where the error appears to be too large for the data to contain any meaningful information.

Philbrick, C. Russell↗
NASA NTRS1998

The Effects of Impurities on Protein Crystal Growth and Nucleation: A Preliminary Study

Kubota and Mullin (1995) devised a simple model to account for the effects of impurities on crystal growth of small inorganic and organic molecules in aqueous solutions. Experimentally, the relative step velocity and crystal growth of these molecules asymptotically approach zero or non-zero values with increasing concentrations of impurities. Alternatively, the step velocity and crystal growth can linearly approach zero as the impurity concentration increases. The Kubota-Mullin model assumes that the impurity exhibits Langmuirian adsorption onto the crystal surface. Decreases in step velocities and subsequent growth rates are related to the fractional coverage (theta) of the crystal surface by adsorbed impurities; theta = Kx / (I +Kx), x = mole fraction of impurity in solution. In the presence of impurities, the relative step velocity, V/Vo, and the relative growth rate of a crystal face, G/Go, are proposed to conform to the following equations: V/Vo approx. = G/Go = 1 - (alpha)(theta). The adsorption of impurity is assumed to be rapid and in quasi-equilibrium with the crystal surface sites available. When the value of alpha, an effectiveness factor, is one the growth will asymptotically approach zero with increasing concentrations of impurity. At values less than one, growth approaches a non-zero value asymptotically. When alpha is much greater than one, there will be a linear relationship between impurity concentration and growth rates. Kubota and Mullin expect alpha to decrease with increasing supersaturation and shrinking size of a two dimensional nucleus. It is expected that impurity effects on protein crystal growth will exhibit behavior similar to that of impurities in small molecule growth. A number of proteins were added to purified chicken egg white lysozyme, the effect on crystal nucleation and growth assessed.

Schall, Constance A.↗
NASA NTRS1998

Parallelization of the Pipelined Thomas Algorithm

In this study the following questions are addressed. Is it possible to improve the parallelization efficiency of the Thomas algorithm? How should the Thomas algorithm be formulated in order to get solved lines that are used as data for other computational tasks while processors are idle? To answer these questions, two-step pipelined algorithms (PAs) are introduced formally. It is shown that the idle processor time is invariant with respect to the order of backward and forward steps in PAs starting from one outermost processor. The advantage of PAs starting from two outermost processors is small. Versions of the pipelined Thomas algorithms considered here fall into the category of PAs. These results show that the parallelization efficiency of the Thomas algorithm cannot be improved directly. However, the processor idle time can be used if some data has been computed by the time processors become idle. To achieve this goal the Immediate Backward pipelined Thomas Algorithm (IB-PTA) is developed in this article. The backward step is computed immediately after the forward step has been completed for the first portion of lines. This enables the completion of the Thomas algorithm for some of these lines before processors become idle. An algorithm for generating a static processor schedule recursively is developed. This schedule is used to switch between forward and backward computations and to control communications between processors. The advantage of the IB-PTA over the basic PTA is the presence of solved lines, which are available for other computations, by the time processors become idle.

Povitsky, A.↗
NASA NTRS1997

The Package-Based Development Process in the Flight Dynamics Division

The Software Engineering Laboratory (SEL) has been operating for more than two decades in the Flight Dynamics Division (FDD) and has adapted to the constant movement of the software development environment. The SEL's Improvement Paradigm shows that process improvement is an iterative process. Understanding, Assessing and Packaging are the three steps that are followed in this cyclical paradigm. As the improvement process cycles back to the first step, after having packaged some experience, the level of understanding will be greater. In the past, products resulting from the packaging step have been large process documents, guidebooks, and training programs. As the technical world moves toward more modularized software, we have made a move toward more modularized software development process documentation, as such the products of the packaging step are becoming smaller and more frequent. In this manner, the QIP takes on a more spiral approach rather than a waterfall. This paper describes the state of the FDD in the area of software development processes, as revealed through the understanding and assessing activities conducted by the COTS study team. The insights presented include: (1) a characterization of a typical FDD Commercial Off the Shelf (COTS) intensive software development life-cycle process, (2) lessons learned through the COTS study interviews, and (3) a description of changes in the SEL due to the changing and accelerating nature of software development in the FDD.

Parra, Amalia↗
NASA NTRS1998

Structural Similitude and Scaling Laws

Aircraft and spacecraft comprise the class of aerospace structures that require efficiency and wisdom in design, sophistication and accuracy in analysis and numerous and careful experimental evaluations of components and prototype, in order to achieve the necessary system reliability, performance and safety. Preliminary and/or concept design entails the assemblage of system mission requirements, system expected performance and identification of components and their connections as well as of manufacturing and system assembly techniques. This is accomplished through experience based on previous similar designs, and through the possible use of models to simulate the entire system characteristics. Detail design is heavily dependent on information and concepts derived from the previous steps. This information identifies critical design areas which need sophisticated analyses, and design and redesign procedures to achieve the expected component performance. This step may require several independent analysis models, which, in many instances, require component testing. The last step in the design process, before going to production, is the verification of the design. This step necessitates the production of large components and prototypes in order to test component and system analytical predictions and verify strength and performance requirements under the worst loading conditions that the system is expected to encounter in service. Clearly then, full-scale testing is in many cases necessary and always very expensive. In the aircraft industry, in addition to full-scale tests, certification and safety necessitate large component static and dynamic testing. Such tests are extremely difficult, time consuming and definitely absolutely necessary. Clearly, one should not expect that prototype testing will be totally eliminated in the aircraft industry. It is hoped, though, that we can reduce full-scale testing to a minimum. Full-scale large component testing is necessary in other industries as well, Ship building, automobile and railway car construction all rely heavily on testing. Regardless of the application, a scaled-down (by a large factor) model (scale model) which closely represents the structural behavior of the full-scale system (prototype) can prove to be an extremely beneficial tool. This possible development must be based on the existence of certain structural parameters that control the behavior of a structural system when acted upon by static and/or dynamic loads. If such structural parameters exist, a scaled-down replica can be built, which will duplicate the response of the full-scale system. The two systems are then said to be structurally similar. The term, then, that best describes this similarity is structural similitude. Similarity of systems requires that the relevant system parameters be identical and these systems be governed by a unique set of characteristic equations. Thus, if a relation or equation of variables is written for a system, it is valid for all systems which are similar to it. Each variable in a model is proportional to the corresponding variable of the prototype. This ratio, which plays an essential role in predicting the relationship between the model and its prototype, is called the scale factor.

Simitses, George J.↗
NASA NTRS1998

Effects of Convective Solute and Impurity Transport in Protein Crystal Growth

High-resolution optical interferometry was used to investigate the effects of forced solution convection on the crystal growth kinetics of the model protein lysozyme. Most experiments were conducted with 99.99% pure protein solutions. To study impurity effects, approx. 1% of lysozyme dimer (covalently bound) was added in some cases. We show that the unsteady kinetics, corresponding to bunching of growth steps, can be characterized by the Fourier components of time traces of the growth rate. Specific Fourier spectra are uniquely determined by the solution conditions (composition, temperature, and flow rate) and the growth layer source activity. We found that the average step velocity and growth rate increase by approx. I0% with increasing flow rate, as a result of the enhanced solute supply to the interface. More importantly, faster convective transport results in lower fluctuation amplitudes. This observation supports our rationale for system-dependent effects of transport on the structural perfection of protein crystals. We also found that solution flow rates greater than 500 microns/s result in stronger fluctuations while the average growth rate is decreased. This can lead to growth cessation at low supersaturations. With the intentionally contaminated solutions, these undesirable phenomena occurred at about half the flow rates required in pure solutions. Thus, we conclude that they are due to enhanced convective supply of impurities that are incorporated into the crystal during growth. Furthermore, we found that the impurity effects are reduced at higher crystal growth rates. Since the exposure time of terraces is inversely proportional to the growth rate, this observation suggests that the increased kinetics instability results from impurity adsorption on the interface. Finally, we provide evidence relating earlier observations of "slow protein crystal growth kinetics" to step bunch formation in response to nonsteady step generation.

Vekilov, Peter G.↗
NASA NTRS1996

The Newton Modified Barrier Method for QP Problems

The Modified Barrier Functions (MBF) have elements of both Classical Lagrangians (CL) and Classical Barrier Functions (CBF). The MBF methods find an unconstrained minimizer of some smooth barrier function in primal space and then update the Lagrange multipliers, while the barrier parameter either remains fixed or can be updated at each step. The numerical realization of the MBF method leads to the Newton MBF method, where the primal minimizer is found by using Newton's method. This minimizer is then used to update the Lagrange multipliers. In this paper, we examine the Newton MBF method for the Quadratic Programming (QP) problem. It will be shown that under standard second-order optimality conditions, there is a ball around the primal solution and a cut cone in the dual space such that for a set of Lagrange multipliers in this cut cone, the method converges quadratically to the primal minimizer from any point in the aforementioned ball, and continues to do so after each Lagrange multiplier update. The Lagrange multipliers remain within the cut cone and converge linearly to their optimal values. Any point in this ball will be called a "hot start". Starting at such a "hot start", at most Omicron(1n 1n epsilon(exp -1)) Newton steps are sufficient to perform the primal minimization which is necessary for the Lagrange multiplier update. Here, epsilon > 0 is the desired accuracy. Because of the linear convergence of the Lagrange multipliers, this means that only Omicron(1n epsilon(exp -1))omicron(ln 1n epsilon(exp-1)) Newton steps are required to reach an epsilon-approximation to the solution from any "hot start". In order to reach the "hot start", one has to perform Omicron(square root(m) 1n C) Newton steps, where m characterizes the size of the problem and C > 0 is the condition number of the QP problem. This condition number will be characterized explicitly in terms of key parameters of the QP problem, which in turn depend on the input data and the size of the problem.

Melman, A.↗
NASA NTRS1999

Advanced Electric Propulsion for RLV Launched Geosynchronous Spacecraft

Solar Electric Propulsion (SEP) when used for station keeping and final orbit insertion has been shown to increase a geostationary satellite's payload when launched by existing expendable launch vehicles. In the case of reusable launch vehicles or expendable launch vehicles where an upper stage is an expensive option, this methodology can be modified by using the existing on-board apogee chemical system to perform a perigee burn and then letting the electric propulsion system complete the transfer to geostationary orbit. The elimination of upper stages using on-board chemical and electric propulsion systems was thus examined for GEO spacecraft. Launch vehicle step-down from an Atlas IIAR to a Delta 7920 (no upper stage) was achieved using expanded on-board chemical tanks, 40 kW payload power for electric propulsion, and a 60 day elliptical to GEO SEP orbit insertion. Optimal combined chemical and electric trajectories were found using SEPSPOT. While Hall and ion thrusters provided launch vehicle step-down and even more payload for longer insertion times, NH3 arcjets had insufficient performance to allow launch vehicle step-down. Degradation levels were only 5% to 7% for launch step-down cases using advanced solar arrays. Results were parameterized to allow comparisons for future reusable launch vehicles. Results showed that for an 8 W/kg initial power/launch mass power density spacecraft, 50% to 100% more payload can be launched using this method.

Oleson, Steven↗
NASA NTRS1997

Selection and Characterization of Vegetable Crop Cultivars for use in Advanced Life Support Systems

Cultivar evaluation for controlled environments is a lengthy and multifaceted activity. The chapters of this thesis cover eight steps preparatory to yield trials, and the final step of cultivar selection after data are collected. The steps are as follows: 1. Examination of the literature on the crop and crop cultivars to assess the state of knowledge. 2. Selection of standard cultivars with which to explore crop response to major growth factors and determine set points for screening and, later, production. 3. Determination of practical growing techniques for the crop in controlled environments. 4. Design of experiments for determination of crop responses to the major growth factors, with particular emphasis on photoperiod, daily light integral and air temperature. 5. Developing a way of measuring yield appropriate to the crop type by sampling through the harvest period and calculating a productivity function. 6. Narrowing down the pool of cultivars and breeding lines according to a set of criteria and breeding history. 7. Determination of environmental set points for cultivar evaluation through calculating production cost as a function of set points and size of target facility. 8. Design of screening and yield trial experiments emphasizing efficient use of space. 9. Final evaluation of cultivars after data collection, in terms of production cost and value to the consumer. For each of the steps, relevant issues are addressed. In selecting standards to determine set points for screening, set points that optimize cost of production for the standards may not be applicable to all cultivars. Production of uniform and equivalent- sized seedlings is considered as a means of countering possible differences in seed vigor. Issues of spacing and re-spacing are also discussed.

Langhans, Robert W.↗
NASA NTRS1998

Multipoint Measurements in an Axisymmetric Sudden Expansion

A flying wire system was utilized in conjunction with a rake of nine cross-wire probes to obtain simultaneous velocity measurements in an axisymmetric sudden expansion at a Reynolds number of 41,000. From these measurements, the correlation tensor could be calculated. Knowledge of the two-point correlation tensor reveals more in-depth information of the physical attributes of this flow. The two point correlation tensor allowed for calculation of the integrated length scales in both the radial and axial directions. This gives insight into the growth of structures with increasing downstream distance and at different radial locations through out the sudden expansion. The length scales were calculated by integrating the two-point correlation tensor in the radial direction from the centerline to the outer pipe wall and by integrating between several step heights for the axial direction. Calculated correlations at z/h = 8 and 9 at r/R = 0.46 showed a correlation length of 1/3 step height for the radial direction. It was found that length scales in the radial direction became larger with increasing radius with peaks at 0.70 e r/R c 0.81 but then decreased slightly towards the wall. Length scales in the axial direction yielded a recirculating bubble on the order of 3 step heights in the recirculating region. After the recirculating region, the length scales decreased to 1/4 of a step height.

Eaton, Erroll L.↗
NASA NTRS1999

1997 NASA/MSFC Summer Teacher Enrichment Program

This is a report on the follow-up activities conducted for the 1997 NASA Summer Teacher Enrichment Program (STEP), which was held at the George C. Marshall Space Flight Center (MSFC) for the seventh consecutive year. The program was conducted as a six-week session with 17 sixth through twelfth grade math and science teachers from a six-state region (Alabama, Arkansas, Iowa, Louisiana, Mississippi and Missouri). The program began on June 8, 1997, and ended on July 25, 1997. The long-term objectives of the program are to: increase the nation's scientific and technical talent pool with a special emphasis on underrepresented groups, improve the quality of pre-college math and science education, improve math and science literacy, and improve NASA's and pre-college education's understandings of each other's operating environments and needs. Short-term measurable objectives for the MSFC STEP are to: improve the teachers' content and pedagogy knowledge in science and/or mathematics, integrate applications from the teachers' STEP laboratory experiences into science and math curricula, increase the teachers' use of instructional technology, enhance the teachers' leadership skills by requiring them to present workshops and/or inservice programs for other teachers, require the support of the participating teacher(s) by the local school administration through a written commitment, and create networks and partnerships within the education community, both pre-college and college. The follow-up activities for the 1997 STEP included the following: academic-year questionnaire, site visits, academic-year workshop, verification of commitment of support, and additional NASA support.

Source record↗
NASA NTRS2000

Molecular Simulations in Astrobiology

One of the main goals of astrobiology is to understand the origin of cellular life. The most direct approach to this problem is to construct laboratory models of protocells. Such efforts, currently underway in the NASA Astrobiology Program, are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures that are capable of performing protocellular functions. Many of these functions, such as importing nutrients, capturing energy and responding to changes in the environment, are carried out by proteins bound to membranes. We use computer simulations to address the following questions about these proteins: (1) How do small proteins self-organize into ordered structures at water-membrane interfaces and insert into membranes? (2) How do peptides form membrane-spanning structures (e.g. channels)? (3) By what mechanisms do such structures perform their functions? The simulations are performed using the molecular dynamics method. In this method, Newton's equations of motion for each atom in the system are solved iteratively. At each time step, the forces exerted on each atom by the remaining atoms are evaluated by dividing them into two parts. Short-range forces are calculated in real space while long-range forces are evaluated in reciprocal space, using a particle-mesh algorithm which is of order O(NInN). With a time step of 2 femtoseconds, problems occurring on multi-nanosecond time scales (10(exp 6)-10(exp 8) time steps) are accessible. To address a broader range of problems, simulations need to be extended by three orders of magnitude, which requires algorithmic improvements and codes scalable to a large number of processors. Work in this direction is in progress. Two series of simulations are discussed. In one series, it is shown that nonpolar peptides, disordered in water, translocate to the nonpolar interior of the membrane and fold into helical structures (see Figure). Once in the membrane, the peptides exhibit orientational flexibility with changing conditions, which may have provided a mechanism of transmitting signals between the protocell and its environment. In another series of simulations, the mechanism by which a simple protein channel efficiently mediates proton transport across membranes was investigated. This process is a key step in cellular bioenergetics. In the channel under study, proton transport is gated by four histidines that occlude the channel pore. The simulations identify the mechanisms by which protons move through the gate.

Pohorille, Andrew↗
NASA NTRS2000

Testing and Analysis of Composite Skin/Stringer Debonding Under Multi-Axial Loading

A consistent step-wise approach is presented to investigate the damage mechanism in composite bonded skin/stringer constructions under uniaxial and biaxial (in-plane/out-of-plane) loading conditions. The approach uses experiments to detect the failure mechanism, computational stress analysis to determine the location of first matrix cracking and computational fracture mechanics to investigate the potential for delamination growth. In a first step, tests were performed on specimens, which consisted of a tapered composite flange, representing a stringer or frame, bonded onto a composite skin. Tests were performed under monotonic loading conditions in tension, three-point bending, and combined tension/bending to evaluate the debonding mechanisms between the skin and the bonded stringer. For combined tension/bending testing, a unique servohydraulic load frame was used that was capable of applying both in-plane tension and out-of-plane bending loads simultaneously. Specimen edges were examined on the microscope to document the damage occurrence and to identify typical damage patterns. For all three load cases, observed failure initiated in the flange, near the flange tip, causing the flange to almost fully debond from skin. In a second step, a two dimensional plane-strain finite element model was developed to analyze the different test cases using a geometrically nonlinear solution. For all three loading conditions, computed principal stresses exceeded the transverse strength of the material in those areas of the flange where the matrix cracks had developed during the tests. In a third step, delaminations of various lengths were simulated in two locations where delaminations were observed during the tests. The analyses showed that at the loads corresponding to matrix ply crack initiation computed strain energy release rates exceeded the values obtained from a mixed mode failure criterion in one location, Hence. Unstable delamination propagation is likely to occur as observed in the experiments.

Krueger, Ronald↗
NASA NTRS1994

Turbulent Heat Transfer Characteristics in the Shear Layer of a Separated Flow

Experiments were performed to study the evolution of the heat transfer structure in a separated free shear layer region of an incompressible separated turbulent boundary layer flow behind a backward-facing step. While there is an abundance of velocity field measurements of separated flows, heat transfer measurements are rather scarce, thus limiting assessment of the heat transfer physics and its accurate modeling. The purpose of the paper is twofold: to improve an understanding of effects of flow separation on heat transfer characteristics, and to provide data for turbulence modeling and computation. The boundary layer upstream of the step was turbulent and fully developed. A constant temperature surface boundary condition was imposed upstream and downstream of the step for the heat transfer study. An internal mixing-layer like flow forms and grows from the step lip within the original boundary layer. The turbulent structure of the flow evolving downstream, however, does not switch immediately to that of a mixing layer over the entire shear layer thickness. Measurements of mean and fluctuating velocity and temperature fields indicate that the internal layer spreads gradually in the transverse direction while the outer part of the original boundary layer is effectively unperturbed. The results in this paper have not been previously reported.

Jovic, S.↗
NASA NTRS2001

Morphological Stability of Faceted Interfaces

The major focus of this investigation is to study the fundamentals of layer spreading mechanisms during growth of doped Ge (a facet forming material), and to determine the conditions for morphological instability of vicinal solid-liquid interfaces. The investigation will also lead to the determination of the effect of dopants on the layer growth kinetics, step free energy, and dopant capture by the advancing ledges. The theoretical treatment of growth of faceted interfaces indicates that the kinetics of a step on a growing vicinal interface considerably depends on its angle of inclination, the melt concentration, and characteristics of flow currents in the melt. The morphological stability of the interface also depends on these parameters, as well as on the density and spreading velocity of the steps. However, the treatment of the instability of the interface by the layer growth mechanism is rather difficult because it requires exact knowledge of the thermal and solutal fields, hydrodynamics of the melt, and supercooling at the interface. The results of recent space experiments of the principal investigator involving directional solidification of faceted Bi-Sn alloys have shown that the morphological stability of various crystallographic orientations is significantly affected by the anistropy in interfacial properties of the faceted alloy in general, and the interface kinetics in particular. These findings have also raised many important and fundamental questions, particularly with respect to the behavior of interfacial steps, which need to be addressed via additional groundbased and microgravity experiments. For the present investigation we will use a novel crystal growth technique which provides axial heat flux close to the solid-liquid boundary. The Axial Heat Processing (AHP) technique allows for precise control and determination of the heat and mass transfer close to the crystallization front, and the establishment of a planar interface over the entire cross-section of the growing crystal.

Abbaschian, Reza↗
NASA NTRS2001

Measurement of Charged Particle Interactions in Spacecraft and Planetary Habitat Shielding Materials

The Microgravity Materials Program, through its 98-HEDS-04 Research Announcement, has called for research to support 'enhanced human radiation protection through the development of light weight soft goods with high radiation protection characteristics.' Given the nature of the particle flux from the Galactic Cosmic Radiation (GCR), and the many constraints on the depth and type of shielding in spacecraft and planetary habitats, it is clear that the health risks these particles present to astronauts in deep space cannot be entirely eliminated. It is the objective of this project to develop a highly accurate model of GCR transport so that NASA can develop and validate the properties of protective shielding materials with the best available information. The validity of the GCR transport model depends in large part on having accurate and precise input data in the form of the charge-changing and fragment production cross sections for the heavy ions of greatest biological significance. The accuracy of the transport model can be evaluated and enhanced by employing the following a three-step strategy: (1) New cross section data will be made available to the NASA-Langley scientists responsible for the transport codes, and will be used as inputs to the codes; (2) The codes will be used to predict additional cross sections and/or details of the radiation field behind realistic shielding arrangements, where the materials and configurations may be quite complex. Mock-ups of the shielding configurations suitable for use in accelerator experiments will obtained by the NASA-Langley co-investigators; and (3) The transport model predictions will be tested in accelerator-based experiments. The time scale for one pass through these steps is well-suited to a four-year schedule. Over a longer term, these steps may be repeated, leading to still further refinements of the transport code, new predictions, and an additional round of measurements, until the desired predictive accuracy is achieved. The focus of this work is primarily on the first of these steps, the determination of fragmentation cross sections, which will be the main task in years one and two. The detailed strategy for carrying out the remainder of the program is more difficult to specify, as it depends on unpredictable factors such as the extent to which the transport model must be modified, schedules for accelerator time, target fabrication, etc.

Zeitlin, C.↗
NASA NTRS1994

Investigation of a Laminar Flow Leading Edge

The recent resurgence of interest in utilizing laminar flow on aircraft surfaces for reduction in skin friction drag has generated a considerable amount of research in natural laminar flow (NLF) and hybrid laminar flow control (HLFC) on transonic aircraft wings. This research has focused primarily on airfoil design and understanding transition behavior with little concern for the surface imperfections and manufacturing variations inherent to most production aircraft. In order for laminar flow to find wide-spread use on production aircraft, techniques for constructing the wings must be found such that the large surface imperfections present in the leading edge region of current aircraft do not occur. Toward this end, a modification to existing leading edge construction techniques was devised such that the resulting surface did not contain large gaps and steps as are common on current production aircraft of this class. A lowspeed experiment was first conducted on a simulation of the surface that would result from this construction technique. Preston tube measurements of the boundary layer downstream of the simulated joint and flow visualization using sublimation chemicals validated the literature on the effects of steps on a laminar boundary layer. These results also indicated that the construction technique was indeed compatible with laminar flow. In order to fully validate the compatibility of this construction technique with laminar flow, thus proving that it is possible to build wings that are smooth enough to be used on business jets and light transports in a manner compatible with laminar flow, a flight experiment is being conducted. In this experiment Mach number and Reynolds number will be matched in a real flight environment. The experiment is being conducted using the NASA Dryden F-104 Flight Test Fixture (FTF). The FTF is a low aspect ratio ventral fin mounted beneath an F-104G research aircraft. A new nose shape was designed and constructed for this experiment. This nose shape provides an accelerating pressure gradient in the leading edge region. By flying the aircraft at appropriate Mach numbers and altitudes, this nose shape simulates the leading edge region of a laminar flow wing for a business jet or light transport. Manufactured into the nose shape is a spanwise slot located approximately four inches downstream of the leading edge. The slot, which is an inch wide and one-eighth of an inch deep allows the simulation of surface imperfections, such as gaps and steps at skin joints, which will occur on aircraft using this new construction technique. By placing strips of aluminum of various sizes and shapes in the slot, the effect on the boundary layer of different sizes and shapes of steps and gaps will be examined. It is planned to use five different configurations, differing primarily in the size and number of gaps. Downstream of the slot, the state of the boundary layer is determined using hot film gages and Stanton gages. Agreement between these two very different techniques of measuring boundary layer properties is considered important to being able to state with confidence the effects on the boundary layer of the simulated manufacturing imperfections. To date, the aircraft has not flown. First flights of the aircraft are on schedule to begin October 4, 1993. Low-speed, preliminary experiments at matching Reynolds numbers have been completed.

Drake, Aaron↗
NASA NTRS2001

Molecular Simulations in Astrobiology

One of the main goals of astrobiology is to understand the origin of cellular life. In the absence of any record of the earliest ancestors of contemporary cells, protocells, the most direct way to test our understanding of their characteristics is to construct laboratory models of protocells. Such efforts, currently underway in the NASA Astrobiology Program, are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures and developing designs of molecules that are capable of performing protocellular functions. Many of these functions, such as importing nutrients, capturing and storing energy, and responding to changes in the environment, are carried out by proteins bound to membranes. We use computer simulations to address the following, questions about these proteins: (1) How do small proteins (peptides) organize themselves into ordered structures at water-membrane interfaces and insert into membranes? (2) How do peptides aggregate to form membrane-spannin(y structures (e.g., channels)? (3) By what mechanisms do such aggregates perform their functions? The simulations are performed using the molecular dynamics (MD) method. In this method, Newton's equations of motion for each atom in the system are solved iteratively. At each time step, the forces exerted on each atom by the remaining atoms are evaluated by dividing them into two parts. Short-range forces are calculated directly in real space while long-range forces are evaluated in reciprocal space, usually using a particle-mesh algorithm which is of order O(NlnN). Currently, a time step of 2 femtoseconds is typically used, thereby making studies of problems occurring on multi-nanosecond time scales (10(exp 6) - 10(exp 8) time steps) accessible. To address a broader range of problems, simulations need to be extended by three orders of magnitude. Such an extension requires both algorithmic improvements and codes scalable to a large number of parallel processors. Work in this direction is in progress. Two specific series of simulations that demonstrate how peptides self-organize and function in membranes are discussed. In one series of simulations, it was shown that nonpolar peptides, disordered in water, translocate to the nonpolar interior of the membrane and, simultaneously, fold into two different helical structures, which remain in equilibrium. Once in the membrane, the peptides can readily change their orientation, especially in response to local electric fields. This structural and orientational flexibility of peptides with changing conditions may have provided a mechanism of transmitting signals between the environment and the interior of the protocell. In another series of simulations, the mechanism by which a simple protein channel efficiently mediates proton transport across membranes was investigated. This process is a key step in cellular bioenergetics. In the channel under study, proton transport is gated by four histidines that occlude the channel pore. The simulations demonstrate that protons move through the gate by a "shuttle" mechanism, wherein one histidine is protonated on the extracellular side and, subsequently, the proton bound on the opposite side is released.

Pohorille, Andrew↗