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Unsteady flowfields around oscillating Boeing VR7 airfoil with and without a leading-edge slat were numerically investigated by a novel zonal method using a conformal mapping technique. Numerical aero-dynamic hysteresis loops show that the leading-edge slat prevents the airfoil dynamic stall at reduced frequency of 0.15, Reynolds number of 1 million, and the oscillation range of 5 deg to 25 deg.
Stress concentration around curvilinear holes in plates and shell, conformal mapping and other procedures for mathematical problems, and dynamic problems in bodies weakened by holes
One objective of the Small Aircraft Transportation System (SATS) Higher Volume Operations (HVO) project is to increase the capacity and utilization of small non-towered, non-radar equipped airports by transferring traffic management activities to an automated Airport Management Module (AMM) and separation responsibilities to general aviation (GA) pilots. Implementation of this concept required the development of a research Multi-Function Display (MFD) to support the interactive communications between pilots and the AMM. The interface also had to accommodate traffic awareness, self-separation, and spacing tasks through dynamic messaging and symbology for flight path conformance and conflict detection and alerting (CDA). The display served as the mechanism to support the examination of the viability of executing instrument operations designed for SATS designated airports. Results of simulation and flight experiments conducted at the National Aeronautics and Space Administration's (NASA) Langley Research Center indicate that the concept, as facilitated by the research MFD, did not increase pilots subjective workload levels or reduce their situation awareness (SA). Post-test usability assessments revealed that pilots preferred using the enhanced MFD to execute flight procedures, reporting improved SA over conventional instrument flight rules (IFR) procedures.
Space radiation is a proficient inducer of DNA damage leading to mutation, aberrant cell signaling, and cancer formation. Ku is among the first responding proteins in nucleus to recognize and bind the DNA double strand breaks (DSBs) whenever they are introduced. Once loaded Ku works as a scaffold to recruit other repair factors of non-homologous end joining and facilitates the following repair processes. The crystallographic study of the Ku70/80 heterodimer indicate the core structure of this protein shows virtually no conformational change after binding with DNA. To investigate the dynamical features as well as the energetic characteristics of Ku-DNA binding, we conduct multi-nanosecond molecular dynamics simulations of a modeled Ku70/80 structure and several complexes with two 24-bp DNA duplexes. Free energy calculations show significant energy differences between the complexes with Ku bound at DSBs and those with Ku associated at an internal site of a chromosome. The results also reveal detailed interactions between different nucleotides and the amino acids along the DNA-binding cradle of Ku, indicating subtle binding preference of Ku at specific DNA sequences. The covariance matrix analyses along the trajectories demonstrate the protein is stimulated to undergo correlated motions of different domains once bound to DNA ends. Additionally, principle component analyses identify these low frequency collective motions suitable for binding with and translocation along duplex DNA. It is proposed that the modification of dynamical properties of Ku upon binding with DSBs may provide a signal for the further recruitment of other repair factors such as DNA-PKcs, XLF, and XRCC4.
This paper describes a computer model that was designed to investigate the conformation of molecules, macromolecules and subsequent complexes. Utilizing an advanced 3-D dynamic computer display system, the model is sufficiently versatile to accommodate a large variety of molecular input and to generate data for multiple purposes such as visual representation of conformational changes, and calculation of conformation and interaction energy. Molecules can be built on the basis of several levels of information. These include the specification of atomic coordinates and connectivities and the grouping of building blocks and duplicated substructures using symmetry rules found in crystals and polymers such as proteins and nucleic acids. Called AIMS (Ames Interactive Molecular modeling System), the model is now being used to study pre-biotic molecular evolution toward life.
This paper presents the application of Bounded Linear Stability Analysis (BLSA) method for metrics-driven adaptive control. The bounded linear stability analysis method is used for analyzing stability of adaptive control models, without linearizing the adaptive laws. Metrics-driven adaptive control introduces a notion that adaptation should be driven by some stability metrics to achieve robustness. By the application of bounded linear stability analysis method the adaptive gain is adjusted during the adaptation in order to meet certain phase margin requirements. Analysis of metrics-driven adaptive control is evaluated for a second order system that represents a pitch attitude control of a generic transport aircraft. The analysis shows that the system with the metrics-conforming variable adaptive gain becomes more robust to unmodeled dynamics or time delay. The effect of analysis time-window for BLSA is also evaluated in order to meet the stability margin criteria.
The "CFD General Notation System" (CGNS) consists of a collection of conventions, and conforming software, for the storage and retrieval of Computational Fluid Dynamics (CFD) data. It facilitates the exchange of data between sites and applications, and helps stabilize the archiving of aerodynamic data. This effort was initiated in order to streamline the procedures in exchanging data and software between NASA and its customers, but the goal is to develop CGNS into a National Standard for the exchange of aerodynamic data. The CGNS development team is comprised of members from Boeing Commercial Airplane Group, NASA-Ames, NASA-Langley, NASA-Lewis, McDonnell-Douglas Corporation (now Boeing-St. Louis), Air Force-Wright Lab., and ICEM-CFD Engineering. The elements of CGNS address all activities associated with the storage of data on external media and its movement to and from application programs. These elements include: 1) The Advanced Data Format (ADF) Database manager, consisting of both a file format specification and its I/O software, which handles the actual reading and writing of data from and to external storage media; 2) The Standard Interface Data Structures (SIDS), which specify the intellectual content of CFD data and the conventions governing naming and terminology; 3) The SIDS-to-ADF File Mapping conventions, which specify the exact location where the CFD data defined by the SIDS is to be stored within the ADF file(s); and 4) The CGNS Mid-level Library, which provides CFD-knowledgeable routines suitable for direct installation into application codes. The SIDS-toADF File Mapping Manual specifies the exact manner in which, under CGNS conventions, CFD data structures (the SIDS) are to be stored in (i.e., mapped onto) the file structure provided by the database manager (ADF). The result is a conforming CGNS database. Adherence to the mapping conventions guarantees uniform meaning and location of CFD data within ADF files, and thereby allows the construction of universal software to read and write the data.
The "CFD General Notation System" (CGNS) consists of a collection of conventions, and conforming software, for the storage and retrieval of Computational Fluid Dynamics (CFD) data. It facilitates the exchange of data between sites and applications, and helps stabilize the archiving of aerodynamic data. This effort was initiated in order to streamline the procedures in exchanging data and software between NASA and its customers, but the goal is to develop CGNS into a National Standard for the exchange of aerodynamic data. The CGNS development team is comprised of members from Boeing Commercial. Airplane Group, NASA-Ames, NASA-Langley, NASA-Lewis, McDonnell-Douglas Corporation (now Boeing-St. Louis), Air Force-Wright Lab., and ICEM-CFD Engineering. The elements of CGNS address all activities associated with the storage of data on external media and its movement to and from application programs. These elements include: 1) The Advanced Data Format (ADF) Database manager, consisting of both a file format specification and its 1/0 software, which handles the actual reading and writing of data from and to external storage media; 2) The Standard Interface Data Structures (SIDS), which specify the intellectual content of CFD data and the conventions governing naming and terminology; 3) The SIDS-to-ADF File Mapping conventions, which specify the exact location where the CFD data defined by the SIDS is to be stored within the ADF file(s); and 4) The CGNS Mid-level Library, which provides CFD-knowledgeable routines suitable for direct installation into application codes. The ADF is a generic database manager with minimal intrinsic capability. It was written for the purpose of storing large numerical datasets in an efficient, platform independent manner. To be effective, it must be used in conjunction with external agreements on how the data will be organized within the ADF database such defined by the SIDS. There are currently 34 user callable functions that comprise the ADF Core library and are described in the Users Guide. The library is written in C, but each function has a FORTRAN counterpart.
The "CFD General Notation System" (CGNS) consists of a collection of conventions, and conforming software, for the storage and retrieval of Computational Fluid Dynamics (CFD) data. It facilitates the exchange of data between sites and applications, and helps stabilize the archiving of aerodynamic data. This effort was initiated in order to streamline the procedures in exchanging data and software between NASA and its customers, but the goal is to develop CGNS into a National Standard for the exchange of aerodynamic data. The CGNS development team is comprised of members from Boeing Commercial Airplane Group, NASA-Ames, NASA-Langley, NASA-Lewis, McDonnell-Douglas Corporation (now Boeing-St. Louis), Air Force-Wright Lab., and ICEM-CFD Engineering. The elements of CGNS address all activities associated with the storage of data on external media and its movement to and from application programs. These elements include: - The Advanced Data Format (ADF) Database manager, consisting of both a file format specification and its I/O software, which handles the actual reading and writing of data from and to external storage media; - The Standard Interface Data Structures (SIDS), which specify the intellectual content of CFD data and the conventions governing naming and terminology; - The SIDS-to-ADF File Mapping conventions, which specify the exact location where the CFD data defined by the SIDS is to be stored within the ADF file(s); and - The CGNS Mid-level Library, which provides CFD-knowledgeable routines suitable for direct installation into application codes. The CGNS Mid-level Library was designed to ease the implementation of CGNS by providing developers with a collection of handy I/O functions. Since knowledge of the ADF core is not required to use this library, it will greatly facilitate the task of interfacing with CGNS. There are currently 48 user callable functions that comprise the Mid-level library and are described in the Users Guide. The library is written in C, but each function has a FORTRAN counterpart.
Urban Air Mobility (UAM) enables highly automated, cooperative, passenger or cargo-carrying air transportation services in and around urban areas. UAM is a subset of the Advanced Air Mobility (AAM) concept under development by the National Aeronautics and Space Administration (NASA), the Federal Aviation Administration (FAA), and industry. The Strategic Conflict Management (SCM) Simulation, dubbed “X4”, was conducted between July 2021 and June 2022 by NASA with the FAA and industry to evolve the Provider of Services for UAM (PSU) that will be needed to ensure initial UAM operations can scale in the National Airspace System (NAS). The FAA UAM Concept of Operations (ConOps) v1 [1] served as an initial guiding document for the X4 airspace management system design to ensure the architecture supports testing of services provided by third-party service providers. To that end, the X4 architecture leveraged concepts and technologies developed for Unmanned Aircraft System (UAS) Traffic Management (UTM) while also developing and testing new capabilities and services needed for UAM. The architecture included an initial prototype of the FAA-Industry Exchange Protocol (FIDXP), third-party services such as the PSUs, and Discovery and Synchronization Service (DSS), and other new services such as Demand-Capacity Balancing (DCB) to facilitate UAM strategic conflict management. During X4, NASA led discussions and collaborated with seven industry airspace partners to develop initial airspace management concepts for UAM that drove what would be tested and evaluated during the simulations. The initial capabilities defined for PSU leveraged UTM UAS Service Supplier (USS) as a starting point and evolved to meet UAM requirements. These discussions were also an opportunity for NASA to collaborate with industry to develop a set of initial Community-Based Rules (CBRs). These CBRs enabled how UAM traffic would be cooperatively managed among UAM operators. The collaborative, iterative process of developing CBRs with industry during X4 provided insight into the challenges involved and identified the need for a suitable and effective forum for future CBR development. In parallel with these discussions, NASA conducted a series of seven software sprints and two collaborative simulations with the airspace partners that built up in complexity. Over the course of the year, all seven partners successfully completed all the sprints by demonstrating the required capabilities. They also participated in the two collaborative simulations to demonstrate how multiple PSUs could work together in a collaborative, more complex environment with higher traffic density. The X4 simulation accomplished NASA's objectives and helped advance the development of the seven participating PSUs. The lessons learned provided insight into key elements of the UAM Notional Architecture from the FAA ConOps v1 [1] and UTM technologies when applied to UAM: - Having a Concept of Use (ConUse) defined prior to the activity would accelerate the time and effort from concept development to testing. - While the UAM Notional Architecture provided a starting point for a federated architecture that support services provided by third-party providers, the USS and PSU differed in their capability definitions for operational intent submission and sharing, conformance monitoring, airspace authorization, strategic conflict management, airspace constraints and dynamic replanning. - While existing DSS developed for UTM provided a way for PSU and other UAM services (such as DCB) to discover relevant operations from each other, additional complexity and challenges were found during X4 testing and illuminated the need for a more suitable solution for UAM. Industry can leverage the results of this demonstration to accelerate UAM requirements, CBRs, and standards development. The FAA and other government municipalities and agencies will be able to leverage results to inform future policies and identify additional gaps that require further analysis, moving toward operationalization of UAM.
Two-dimensional, time-dependent MHD simulations of the interaction between the solar wind and the earth's magnetosphere have been performed to study magnetotail dynamics with varying forms of anomalous resistivity. In general, the resulting models conform to the neutral line model proposed for substorms with near-earth x points and high-speed tailward flows occurring in the magnetotail. However, in the case where Joule heating is included in the physical description of the system, the near-earth x point never moves far down tail, and high-speed tailward flows never stop. Only in the case where there is no Joule heating does the x point move down tail. Simultaneously, the high-speed tailward flows cease. These results indicate that the mechanism of energy dissipation can have an important effect on reconnection processes and the global magnetospheric dynamics.
One of the remaining challenges to structural biology is the solution of modulated structures. While small molecule crystallographers have championed this type of structure, to date, no modulated macromolecular structures have been determined. Modulation of the molecular structures within the crystal can produce satellite reflections or a superlattice of reflections in reciprocal space. We have developed the data collection methods and strategies that are needed to collect and analyze these data. If the macromolecule's crystal lattice is composed of physiologically relevant packing contacts, structural changes induced under physiological conditions can cause distortion relevant to the function and biophysical processes of the molecule making up the crystal. By careful measurement of the distortion, and the corresponding three-dimensional structure of the distorted molecule, we will visualize the motion and mechanism of the biological macromolecule(s). We have measured the modulated diffraction pattern produced by the semicrystalline state of profilin:actin crystals using highly parallel and highly monochromatic synchrotron radiation coupled with fine phi slicing (0.001-0.010 degrees) for structure determination. These crystals present these crystals present a unique opportunity to address an important question in structural biology. The modulation is believed to be due to the formation of actin helical filaments from the actin beta ribbon upon the pH-induced dissociation of profilin. To date, the filamentous state of actin has resisted crystallization and no detailed structures are available. The semicrystalline state profilin:actin crystals provides a unique opportunity to understand the many conformational states of actin. This knowledge is essential for understanding the dynamics underlying shape changes and motility of eukaryotic cells. Many essential processes, such as cytokinesis, phagocytosis, and cellular migration depend upon the capacity of the actin microfilament system to be restructured in a controlled manner via polymerization, depolymerization, severing, cross-linking, and anchorage. The structure the semicrystalline state of profilin:actin will challenge and validate current models of muscle contraction and cell motility. The methodology and theory under development will be easily extendable to other systems.
The seafloor has a profound role in Arctic sea ice formation and seasonal evolution. Ocean bathymetry controls the distribution and mixing of warm and cold waters, which may originate from different sources, thereby dictating the pattern of sea ice on the ocean surface. Sea ice dynamics, forced by surface winds, are also guided by seafloor features in preferential directions. Here, satellite mapping of sea ice together with buoy measurements are used to reveal the bathymetric control on sea ice growth and dynamics. Bathymetric effects on sea ice formation are clearly observed in the conformation between sea ice patterns and bathymetric characteristics in the peripheral seas. Beyond local features, bathymetric control appears over extensive ice-prone regions across the Arctic Ocean. The large-scale conformation between bathymetry and patterns of different synoptic sea ice classes, including seasonal and perennial sea ice, is identified. An implication of the bathymetric influence is that the maximum extent of the total sea ice cover is relatively stable, as observed by scatterometer data in the decade of the 2000s, while the minimum ice extent has decreased drastically. Because of the geologic control, the sea ice cover can expand only as far as it reaches the seashore, the continental shelf break, or other pronounced bathymetric features in the peripheral seas. Since the seafloor does not change significantly for decades or centuries, sea ice patterns can be recurrent around certain bathymetric features, which, once identified, may help improve short-term forecast and seasonal outlook of the sea ice cover. Moreover, the seafloor can indirectly influence cloud cover by its control on sea ice distribution, which differentially modulates the latent heat flux through ice covered and open water areas.
A coupled ocean general circulation, biogeochemical, and radiative model was constructed to evaluate and understand the nature of seasonal variability of chlorophyll and nutrients in the global oceans. Biogeochemical processes in the model are determined from the influences of circulation and turbulence dynamics, irradiance availability. and the interactions among three functional phytoplankton groups (diatoms. chlorophytes, and picoplankton) and three nutrients (nitrate, ammonium, and silicate). Basin scale (greater than 1000 km) model chlorophyll results are in overall agreement with CZCS pigments in many global regions. Seasonal variability observed in the CZCS is also represented in the model. Synoptic scale (100-1000 km) comparisons of imagery are generally in conformance although occasional departures are apparent. Model nitrate distributions agree with in situ data, including seasonal dynamics, except for the equatorial Atlantic. The overall agreement of the model with satellite and in situ data sources indicates that the model dynamics offer a reasonably realistic simulation of phytoplankton and nutrient dynamics on synoptic scales. This is especially true given that initial conditions are homogenous chlorophyll fields. The success of the model in producing a reasonable representation of chlorophyll and nutrient distributions and seasonal variability in the global oceans is attributed to the application of a generalized, processes-driven approach as opposed to regional parameterization and the existence of multiple phytoplankton groups with different physiological and physical properties. These factors enable the model to simultaneously represent many aspects of the great diversity of physical, biological, chemical, and radiative environments encountered in the global oceans.
The prediction of nonlinear optical properties of organic materials is geared to assist materials scientists in the selection of good candidate molecules. A brief summary of the quantum mechanical methods used for estimating hyperpolarizabilities will be presented. The advantages and limitations of each technique will be discussed. Particular attention will be given to the finite-field method for calculating first and second order hyperpolarizabilities, since this method is better suited for large molecules. Corrections for dynamic fields and bulk effects will be discussed in detail, focusing on solvent effects, conformational isomerization, core effects, dispersion, and hydrogen bonding. Several results will be compared with data obtained from third-harmonic-generation (THG) and dc-induced second harmonic generation (EFISH) measurements. These comparisons will demonstrate the qualitative ability of the method to predict the relative strengths of hyperpolarizabilities of a class of compounds. The future application of molecular mechanics, as well as other techniques, in the study of bulk properties and solid state defects will be addressed. The relationship between large values for nonlinear optical properties and large conjugation lengths is well known, and is particularly important for third-order processes. For this reason, the materials with the largest observed nonresonant third-order properties are conjugated polymers. An example of this type of polymer is polydiacetylene. One of the problems in dealing with polydiacetylene is that substituents which may enhance its nonlinear properties may ultimately prevent it from polymerizing. A model which attempts to predict the likelihood of solid-state polymerization is considered, along with the implications of the assumptions that are used. Calculations of the third-order optical properties and their relationship to first-order properties and energy gaps will be discussed. The relationship between monomeric and polymeric third-order optical properties will also be considered.
The undecamer of poly-L-leucine at the water-hexane interface is studied by molecular dynamics simulations. This represents a simple model relevant to folding and insertion of hydrophobic peptides into membranes. The peptide, initially placed in a random coil conformation on the aqueous side of the system, rapidly translocates toward the hexane phase and undergoes interfacial folding into an alpha-helix in the subsequent 36 ns. Folding is nonsequential and highly dynamic. The initially formed helical segment at the N-terminus of the undecamer becomes transiently broken and, subsequently, reforms before the remainder of the peptide folds from the C-terminus. The formation of intramolecular hydrogen bonds during the folding of the peptide is preceded by a dehydration of the participating polar groups, as they become immersed in hexane. Folding proceeds through a short-lived intermediate, a 3(10)-helix, which rapidly interconverts to an alpha-helix. Both helices contribute to the equilibrium ensemble of folded structures. The helical peptide is largely buried in hexane, yet remains adsorbed at the interface. Its preferred orientation is parallel to the interface, although the perpendicular arrangement with the N-terminus immersed in hexane is only slightly less favorable. In contrast, the reversed orientation is highly unfavorable, because it would require dehydration of C-terminus carbonyl groups that do not participate in intramolecular hydrogen bonding. For the same reason, the transfer of the undecamer from the interface to the bulk hexane is also unfavorable. The results suggest that hydrophobic peptides fold in the interfacial region and, simultaneously, translocate into the nonpolar side of the interface. It is further implied that peptide insertion into the membrane is accomplished by rotating from the parallel to the perpendicular orientation, most likely in such a way that the N-terminus penetrates the bilayer.
A generalized mathematical model was developed for simulation of the dynamics and transport of both the atmosphere and seas. A nearly horizontal bottom coordinate surface conforms to the land-to-air interface and the sea-floor-to-water interface, which simplifies computations. General vertical motion of the other quasi-horizontal coordinate surfaces is allowed; external gravity waves can be represented by the top coordinate surface, and meteorological fronts and inversion layers in the atmosphere and refractive layers in the seas can be represented with enhanced resolution by the internal quasi-horizontal coordinate surfaces. A tensor reformulation of the standard subgrid mixing theory departs significantly from the standard theory in allowing, as a solution under adiabatic conditions, rigid-body rotation of the atmosphere.
Climate change (CC) is likely to affect the thousands of bar-built or barrier estuaries (here referred to as Small tidal inlets - STIs) around the world. Any such CC impacts on the stability of STIs, which governs the dynamics of STIs as well as that of the inlet-adjacent coastline, can result in significant socio-economic consequences due to the heavy human utilisation of these systems and their surrounds. This article demonstrates the application of a process based snap-shot modelling approach, using the coastal morphodynamic model Delft3D, to 3 case study sites representing the 3 main STI types; Permanently open, locationally stable inlets (Type 1), Permanently open, alongshore migrating inlets (Type 2) and Seasonally/Intermittently open, locationally stable inlets (Type 3). The 3 case study sites (Negombo lagoon - Type 1, Kalutara lagoon - Type 2, and Maha Oya river - Type 3) are all located along the southwest coast of Sri Lanka. After successful hydrodynamic and morphodynamic model validation at the 3 case study sites, CC impact assessment are undertaken for a high end greenhouse gas emission scenario. Future CC modified wave and riverflow conditions are derived from a regional scale application of spectral wave models (WaveWatch III and SWAN) and catchment scale applications of a hydrologic model (CLSM) respectively, both of which are forced with IPCC Global Climate Model output dynamically downscaled to approximately 50 km resolution over the study area with the stretched grid Conformal Cubic Atmospheric Model CCAM. Results show that while all 3 case study STIs will experience significant CC driven variations in their level of stability, none of them will change Type by the year 2100. Specifically, the level of stability of the Type 1 inlet will decrease from 'Good' to 'Fair to poor' by 2100, while the level of (locational) stability of the Type 2 inlet will also decrease with a doubling of the annual migration distance. Conversely, the stability of the Type 3 inlet will increase, with the time till inlet closure increasing by approximately 75%. The main contributor to the overall CC effect on the stability of all 3 STIs is CC driven variations in wave conditions and resulting changes in longshore sediment transport, not Sea level rise as commonly believed.