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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 433 records · Page 24

Concurrent algorithms for transient nonlinear FE analysis

A two-parameter class of time-stepping algorithms for nonlinear structural dynamics is investigated. What sets the present method apart from other concurrent algorithms is the fact that it can be used to some advantage in sequential machines as well. Thus, substantial speed-ups are obtained on a single processor as the number of subdomains is increased. An additional O(p) speed-up is obtained when p processors are utilized. The test case discussed is being repeated for a mesh comprising four times as many elements, in an effort to understand how the large scale asymptotic speed-ups are attained. A three dimensional example involving finite deformations and free body motions is also being pursued. A code optimized for concurrency in the Alliant FX8 computer is being finalized. This will provide the means for testing the performance of the algorithm in a multiprocessor environment.

Ortiz, M.↗

Automatic Debugging Support for UML Designs

Design of large software systems requires rigorous application of software engineering methods covering all phases of the software process. Debugging during the early design phases is extremely important, because late bug-fixes are expensive. In this paper, we describe an approach which facilitates debugging of UML requirements and designs. The Unified Modeling Language (UML) is a set of notations for object-orient design of a software system. We have developed an algorithm which translates requirement specifications in the form of annotated sequence diagrams into structured statecharts. This algorithm detects conflicts between sequence diagrams and inconsistencies in the domain knowledge. After synthesizing statecharts from sequence diagrams, these statecharts usually are subject to manual modification and refinement. By using the "backward" direction of our synthesis algorithm. we are able to map modifications made to the statechart back into the requirements (sequence diagrams) and check for conflicts there. Fed back to the user conflicts detected by our algorithm are the basis for deductive-based debugging of requirements and domain theory in very early development stages. Our approach allows to generate explanations oil why there is a conflict and which parts of the specifications are affected.

Schumann, Johann↗

Resizing procedure for optimum design of structures under combined mechanical and thermal loading

An algorithm is reported for resizing structures subjected to combined thermal and mechanical loading. The algorithm is applicable to uniaxial stress elements (rods) and membrane biaxial stress members. Thermal Fully Stressed Design (TFSD) is based on the basic difference between mechanical and thermal stresses in their response to resizing. The TFSD technique is found to converge in fewer iterations than ordinary fully stressed design for problems where thermal stresses are comparable to the mechanical stresses. The improved convergence is demonstrated by example with a study of a simplified wing structure, built-up with rods and membranes and subjected to a combination of mechanical loads and a three dimensional temperature distribution.

Adelman, H. M.↗

Solving nuclear structure problems with the adaptive variational quantum algorithm

Here we use the Lipkin-Meshkov-Glick (LMG) model and the valence-space nuclear shell model to examine the likely performance of variational quantum eigensolvers in nuclear-structure theory. The LMG model exhibits both a phase transition and spontaneous symmetry breaking at the mean-field level in one of the phases, features that characterize collective dynamics in medium-mass and heavy nuclei. We show that with appropriate modifications, the ADAPT-VQE algorithm, a particularly flexible and accurate variational approach, is not troubled by these complications. We treat up to 12 particles and show that the number of quantum operations needed to approach the ground-state energy scales linearly with the number of qubits. We find similar scaling when the algorithm is applied to the nuclear shell model with realistic interactions in the sd and pf shells. Although most of these simulations contain no noise, we use a noise model from real IBM hardware to show that for the LMG model with four particles, weak noise has no effect on the efficiency of the algorithm.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Robustness with real parametric and structured complex uncertainty

The problem of robust stability and performance in feedback control systems with n real (possibly related) uncertain parameters and structured unmodeled dynamics (the latter taking the form of m complex blocks dynamic uncertainties) is considered. A robustness margin rm is defined with respect to such model uncertainty structure and an algorithm is developed to compute it. Robust stability and performance are characterized in terms of r sub m or the structured singular value mu. An iterative procedure using the above algorithm is given to compute tight bounds on k sub m and mu. These bounds are exact for the case m = 3 or less.

Pena, Ricardo S. Sanchez↗

Applications of the BIOPHYS Algorithm for Physically-Based Retrieval of Biophysical, Structural and Forest Disturbance Information

Canopy reflectance model inversion using look-up table approaches provides powerful and flexible options for deriving improved forest biophysical structural information (BSI) compared with traditional statistical empirical methods. The BIOPHYS algorithm is an improved, physically-based inversion approach for deriving BSI for independent use and validation and for monitoring, inventory and quantifying forest disturbance as well as input to ecosystem, climate and carbon models. Based on the multiple-forward mode (MFM) inversion approach, BIOPHYS results were summarized from different studies (Minnesota/NASA COVER; Virginia/LEDAPS; Saskatchewan/BOREAS), sensors (airborne MMR; Landsat; MODIS) and models (GeoSail; GOMS). Applications output included forest density, height, crown dimension, branch and green leaf area, canopy cover, disturbance estimates based on multi-temporal chronosequences, and structural change following recovery from forest fires over the last century. Good correspondences with validation field data were obtained. Integrated analyses of multiple solar and view angle imagery further improved retrievals compared with single pass data. Quantifying ecosystem dynamics such as the area and percent of forest disturbance, early regrowth and succession provide essential inputs to process-driven models of carbon flux. BIOPHYS is well suited for large-area, multi-temporal applications involving multiple image sets and mosaics for assessing vegetation disturbance and quantifying biophysical structural dynamics and change. It is also suitable for integration with forest inventory, monitoring, updating, and other programs.

Peddle, Derek R.↗

Order priors for Bayesian network discovery with an application to malware phylogeny

Here, Bayesian networks have been used extensively to model and discover dependency relationships among sets of random variables. We learn Bayesian network structure with a combination of human knowledge about the partial ordering of variables and statistical inference of conditional dependencies from observed data. Our approach leverages complementary information from human knowledge and inference from observed data to produce networks that reflect human beliefs about the system as well as to fit the observed data. Applying prior beliefs about partial orderings of variables is an approach distinctly different from existing methods that incorporate prior beliefs about direct dependencies (or edges) in a Bayesian network. We provide an efficient implementation of the partial-order prior in a Bayesian structure discovery learning algorithm, as well as an edge prior, showing that both priors meet the local modularity requirement necessary for an efficient Bayesian discovery algorithm. In benchmark studies, the partial-order prior improves the accuracy of Bayesian network structure learning as well as the edge prior, even though order priors are more general. Our primary motivation is in characterizing the evolution of families of malware to aid cyber security analysts. For the problem of malware phylogeny discovery, we find that our algorithm, compared to existing malware phylogeny algorithms, more accurately discovers true dependencies that are missed by other algorithms.

97 MATHEMATICS AND COMPUTING↗

Validation of clinical acceptability of an atlas-based segmentation algorithm for the delineation of organs at risk in head and neck cancer

Purpose: The aim of this study was to assess whether clinically acceptable segmentations of organs at risk (OARs) in head and neck cancer can be obtained automatically and efficiently using the novel “similarity and truth estimation for propagated segmentations” (STEPS) compared to the traditional “simultaneous truth and performance level estimation” (STAPLE) algorithm. Methods: First, 6 OARs were contoured by 2 radiation oncologists in a dataset of 100 patients with head and neck cancer on planning computed tomography images. Each image in the dataset was then automatically segmented with STAPLE and STEPS using those manual contours. Dice similarity coefficient (DSC) was then used to compare the accuracy of these automatic methods. Second, in a blind experiment, three separate and distinct trained physicians graded manual and automatic segmentations into one of the following three grades: clinically acceptable as determined by universal delineation guidelines (grade A), reasonably acceptable for clinical practice upon manual editing (grade B), and not acceptable (grade C). Finally, STEPS segmentations graded B were selected and one of the physicians manually edited them to grade A. Editing time was recorded. Results: Significant improvements in DSC can be seen when using the STEPS algorithm on large structures such as the brainstem, spinal canal, and left/right parotid compared to the STAPLE algorithm (all p < 0.001). In addition, across all three trained physicians, manual and STEPS segmentation grades were not significantly different for the brainstem, spinal canal, parotid (right/left), and optic chiasm (all p > 0.100). In contrast, STEPS segmentation grades were lower for the eyes (p < 0.001). Across all OARs and all physicians, STEPS produced segmentations graded as well as manual contouring at a rate of 83%, giving a lower bound on this rate of 80% with 95% confidence. Reduction in manual interaction time was on average 61% and 93% when automatic segmentations did and did not, respectively, require manual editing. Conclusions: The STEPS algorithm showed better performance than the STAPLE algorithm in segmenting OARs for radiotherapy of the head and neck. It can automatically produce clinically acceptable segmentation of OARs, with results as relevant as manual contouring for the brainstem, spinal canal, the parotids (left/right), and optic chiasm. A substantial reduction in manual labor was achieved when using STEPS even when manual editing was necessary.

60 APPLIED LIFE SCIENCES↗

The autocorrelation structure of Tausworthe pseudorandom number generators

An algorithm for determining the autocorrelation structure of a new sequence generated from an original sequence by proper decimation (a shift with each q-th term of the original sequence used) is presented, once autocorrelations for any repeating number sequence are known. The autocorrelation structure of the Tausworthe random number generator (RNG), based on proper decimation by q, is accepted as a RNG structure in which a proper decimation generates a long interval over which autocorrelations are small for all shifts. It is shown that if L bits of an N-bit Tausworthe RNG are L-bit binary numbers, L + 1 levels of correlation will exist, and L levels of correlation will each occur twice per RNG cycle length.

Neuman, F.↗

Structural optimization using optimality criteria methods

Optimality criteria methods take advantage of some concepts as those of statically determinate or indeterminate structures, and certain variational principles of structural dynamics, to develop efficient algorithms for the sizing of structures that are subjected to stiffness-related constraints. Some of the methods and iterative strategies developed over the last decade for calculations of the Lagrange multipliers in stressand displacement-limited problems, as well as for satisfying the appropriate optimality criterion, are discussed. The application of these methods are illustrated by solving problems with stress and displacement constraints.

Khot, N. S.↗

Assembly planning for large truss structures in space

The approach is based on a graph search algorithm. A relational data structure is used to represent a truss structure. There are four types of entities: units, faces, edges, and vertices. There are contain/contained relationships for every pair of entity types, as well as in-contact relationships between faces. A best-first algorithm constitutes the core of the planner. The cost function in the current implementation corresponds to a combination of the rigidity of the intermediate structures and the total distance to be traversed by the agent executing the assembly tasks.

Homem De Mello, L. S.↗

Simulating pitch angle scattering using an explicitly solvable energy-conserving algorithm

Particle distribution functions evolving under the Lorentz operator can be simulated with the Langevin equation for pitch angle scattering. This approach is frequently used in particle based Monte-Carlo simulations of plasma collisions, among others. However, most numerical treatments do not guarantee energy conservation, which may lead to unphysical artifacts such as numerical heating and spectra distortions. We present a novel structure-preserving numerical algorithm for the Langevin equation for pitch angle scattering. Similar to the well-known Boris algorithm, the proposed numerical scheme takes advantage of the structure-preserving properties of the Cayley transform when calculating the velocity-space rotations. The resulting algorithm is explicitly solvable, while preserving the norm of velocities down to machine precision. We demonstrate that the method has the same order of numerical convergence as the traditional stochastic Euler-Maruyama method.

Zhang, Xin↗

Rapid Computational Identification of Therapeutic Targets for Pathogens

Biological threats continue to persist and evolve as an important challenge to national security. There are multiple ways in which novel viral pathogens could emerge to pose a serious threat to human health. This project developed a pathogen target identification tool that can rapidly respond to a novel or emerging viral biological threat. A set of computational tools were developed that provide detailed information on the newly sequenced genes, their protein products and the drug target sites for the proteins that are best suited for biological countermeasure development. Three key innovations were developed in the project. 1) Development of a new extensive database of protein pocket structures with structure-based search algorithms to rapidly link novel protein targets with the complete collection of previously experimentally solved protein structures. 2) A novel clustering pipeline was introduced to group matching structures and associated small-molecule binding ligands into a consensus protein pocket with the associated small-molecule chemotypes predicted to fit in the pocket site. The matching experimentally solved structures were used to inform the value of different target sites. 3) Where there are viral protein targets with pockets structurally matched to similar human proteins, a biological knowledge graph, which links molecular interactions with human disease, was used to further assess the potential negative impact of a viral protein target with similarities to human proteins that could have important off target side effects. In total, the project produced a new resource for rapid and detailed assessment of promising targets for countermeasures, reflecting the ongoing wet lab, clinical, and computational data being collected. These capabilities will improve the ability to respond to a biological threat in multiple domains.

59 BASIC BIOLOGICAL SCIENCES↗

Rain and rain system structure from SSM/I measurements

Algorithms that are currently being developed for the Tropical Rainfall Measuring Mission for the retrieval of the surface rainfall and of the rain-system vertical structure from passive microwave measurements are described. The utility of the procedure is illustrated using data from the Special Sensor Microwave/Imager. The results, which are still of preliminary nature, show the advantages of incorporating the rain-system vertical structure into the precipitation retrievals.

Kummerow, Christian↗

Simulating pitch angle scattering using an explicitly solvable energy-conserving algorithm

Particle distribution functions evolving under the Lorentz operator can be simulated with the Langevin equation for pitch angle scattering. This approach is frequently used in particle based Monte-Carlo simulations of plasma collisions, among others. However, most numerical treatments do not guarantee energy conservation, which may lead to unphysical artifacts such as numerical heating and spectra distortions. In this paper, we present a novel structure-preserving numerical algorithm for the Langevin equation for pitch angle scattering. Similar to the well-known Boris algorithm, the proposed numerical scheme takes advantage of the structure-preserving properties of the Cayley transform when calculating the velocity-space rotations. The resulting algorithm is explicitly solvable, while preserving the norm of velocities down to machine precision. We demonstrate that the method has the same order of numerical convergence as the traditional stochastic Euler-Maruyama method. The numerical scheme is benchmarked by simulating the pitch angle scattering of a particle beam, and comparing with the analytical solution. Benchmark results show excellent agreement with theoretical predictions, showcasing the remarkable long time accuracy of the proposed algorithm.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The use of random decrement technique for identification of structural modes of vibration

An algorithm is developed to obtain the free responses of a structure from its random responses due to some unknown or known random input or inputs, using the random-decrement technique without changing time correlation between signals. The algorithm is tested using random responses from a 'generalized payload' model and from the 'Space Shuttle' model. The resulting free responses are then used to identify the modal characteristics of the two systems.

Ibrahim, S. R.↗

Surface structure of linear nanopores in amorphous silica: Comparison of properties for different pore generation algorithms

In this work, we compare the surface structure of linear nanopores in amorphous silica (a-SiO 2 ) for different versions of “pore drilling” algorithms (where the pores are generated by the removal of atoms from the preformed bulk a-SiO 2 ) and for “cylindrical resist” algorithms (where a-SiO 2 is formed around a cylindrical exclusion region). After adding H to non-bridging O, the former often results in a moderate to high density of surface silanol groups, whereas the latter produces a low density. The silanol surface density for pore drilling can be lowered by a final dehydroxylation step, and that for the cylindrical resist approach can be increased by a final hydroxylation step. In this respect, the two classes of algorithms are complementary. We focus on the characterization of the chemical structure of the pore surface, decomposing the total silanol density into components corresponding to isolated and vicinal mono silanols and geminal silanols. The final dehyroxylation and hydroxylation steps can also be tuned to better align some of these populations with the target experimental values.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Recursive optimal pruning with applications to tree structured vector quantizers

A pruning algorithm of Chou et al. (1989) for designing optimal tree structures identifies only those codebooks which lie on the convex hull of the original codebook's operational distortion rate function. The authors introduce a modified version of the original algorithm, which identifies a large number of codebooks having minimum average distortion, under the constraint that, in each step, only modes having no descendents are removed from the tree. All codebooks generated by the original algorithm are also generated by this algorithm. The new algorithm generates a much larger number of codebooks in the middle- and low-rate regions. The additional codebooks permit operation near the codebook's operational distortion rate function without time sharing by choosing from the increased number of available bit rates. Despite the statistical mismatch which occurs when coding data outside the training sequence, these pruned codebooks retain their performance advantage over full search vector quantizers (VQs) for a large range of rates.

Kiang, Shei-Zein↗