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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 361 records · Page 20

Heracles: Predictive Tools for Opioid Crisis Intervention - m/q Initiative Project Report

The opioid crisis in the United States is being fueled primarily by fentanyl and its molecular analogs, which can be anywhere from 50 to 1,000 times more potent than morphine. Fentanyl itself is straightforward to synthesize; furthermore, the structure is such that fentanyl’s flexible, rotatable side chains are easy to modify to create new analogs. Reference-free computational techniques to predict and identify new fentanyls have the potential to provide a desperately needed preemptive advantage to regulatory stakeholders and toxicologists. The computational pipeline Heracles was developed with this preemptive advantage in mind. Heracles has two primary components: 1) the creation of an in silico library of putative fentanyl analogs, and 2) a downselection pipeline to prioritize generated fentanyl analogs predicted to be potent and easy to synthesize. Experimental observables were also predicted for prioritized analogs, with validation of the observables begun. Heracles has demonstrated potential to aid in the advancement of reference-free paradigms while providing new tools to first responders and other stakeholders attempting to mitigate the opioid crisis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

When in-memory computing meets spiking neural networks—A perspective on device-circuit-system-and-algorithm co-design

This review explores the intersection of bio-plausible artificial intelligence in the form of spiking neural networks (SNNs) with the analog in-memory computing (IMC) domain, highlighting their collective potential for low-power edge computing environments. Through detailed investigation at the device, circuit, and system levels, we highlight the pivotal synergies between SNNs and IMC architectures. Additionally, we emphasize the critical need for comprehensive system-level analyses, considering the inter-dependencies among algorithms, devices, circuit, and system parameters, crucial for optimal performance. An in-depth analysis leads to the identification of key system-level bottlenecks arising from device limitations, which can be addressed using SNN-specific algorithm–hardware co-design techniques. This review underscores the imperative for holistic device to system design-space co-exploration, highlighting the critical aspects of hardware and algorithm research endeavors for low-power neuromorphic solutions.

Physics↗

VORCAM: A computer program for calculating vortex lift effect of cambered wings by the suction analogy

A user's guide to an improved version of Woodward's chord plane aerodynamic panel computer code is presumed. The guide can be applied to cambered wings exhibiting edge separated flow, including those with leading edge vortex flow at subsonic and supersonic speeds. New orientations for the rotated suction force are employed based on the momentum principal. The supersonic suction analogy method is improved by using an effective angle of attack defined through a semiempirical method.

Lan, C. E.↗

Two techniques for digital filter design

Digital controllers, one using a special-purpose computer and the other using a combination of digital and analog techniques, are designed around /1/ computers that simulate the transfer function and interface with the system, and /2/ analog and digital circuits, converters, amplifiers, constant multipliers, and delay lines that form a digital filter.

Carroll, C. C.↗

Perceptual organization in computer vision - A review and a proposal for a classificatory structure

The evolution of perceptual organization in biological vision, and its necessity in advanced computer vision systems, arises from the characteristic that perception, the extraction of meaning from sensory input, is an intelligent process. This is particularly so for high order organisms and, analogically, for more sophisticated computational models. The role of perceptual organization in computer vision systems is explored. This is done from four vantage points. First, a brief history of perceptual organization research in both humans and computer vision is offered. Next, a classificatory structure in which to cast perceptual organization research to clarify both the nomenclature and the relationships among the many contributions is proposed. Thirdly, the perceptual organization work in computer vision in the context of this classificatory structure is reviewed. Finally, the array of computational techniques applied to perceptual organization problems in computer vision is surveyed.

Sarkar, Sudeep↗

Calibration of image dissector tubes

Technique employs computer-controlled light-emitting diode (LED), precision machined mask, and analog-to-digital coverter (ADC). Computer turns on LED which floods masked face of tube. Intensity pattern, generated as tube is electromagnetically swept, is fed to ADC which controls tube calibration.

Klingman, E. E., III↗

A real time dynamic data acquisition and processing system for velocity, density, and total temperature fluctuation measurements

The real time Dynamic Data Acquisition and Processing System (DDAPS) is described which provides the capability for the simultaneous measurement of velocity, density, and total temperature fluctuations. The system of hardware and software is described in context of the wind tunnel environment. The DDAPS replaces both a recording mechanism and a separate data processing system. DDAPS receives input from hot wire anemometers. Amplifiers and filters condition the signals with computer controlled modules. The analog signals are simultaneously digitized and digitally recorded on disk. Automatic acquisition collects necessary calibration and environment data. Hot wire sensitivities are generated and applied to the hot wire data to compute fluctuations. The presentation of the raw and processed data is accomplished on demand. The interface to DDAPS is described along with the internal mechanisms of DDAPS. A summary of operations relevant to the use of the DDAPS is also provided.

Clukey, Steven J.↗

Computational interferometric description of nested flow fields

Computer graphics and theoretical descriptions of density are used to obtain computer generated flow visualizations called computational interferograms. Computational interferograms are pictorially analogous to optical interferograms, and examples showing the fringe pattern for the flow about a sharp tip cone in a supersonic air stream are presented. To ascertain the effect of unsteady behavior, local density disturbances are added to the steady state flow field. This introduces irregularities to the computational interferogram like those seen in the optical interferograms. These theoretical disturbances can be varied in geometry, density description, translated with time, and strengthened or dissipated. The accuracy of computational interferometry relies on the accuracy of the theoretical density descriptions and therefore, it provides a way of verifying existing models of flow fields, especially those containing unsteady or turbulent behavior. In addition to being a unique method of flow visualization, computational interferometry can be used to develop and modify theories or numerical solutions to both simple and complex flow fields. The presented research is a general description of this process.

Havener, A. George↗

Comparison of measured temperatures, thermal stresses and creep residues with predictions on a built-up titanium structure

Temperature, thermal stresses, and residual creep stresses were studied by comparing laboratory values measured on a built-up titanium structure with values calculated from finite-element models. Several such models were used to examine the relationship between computational thermal stresses and thermal stresses measured on a built-up structure. Element suitability, element density, and computational temperature discrepancies were studied to determine their impact on measured and calculated thermal stress. The optimum number of elements is established from a balance between element density and suitable safety margins, such that the answer is acceptably safe yet is economical from a computational viewpoint. It is noted that situations exist where relatively small excursions of calculated temperatures from measured values result in far more than proportional increases in thermal stress values. Measured residual stresses due to creep significantly exceeded the values computed by the piecewise linear elastic strain analogy approach. The most important element in the computation is the correct definition of the creep law. Computational methodology advances in predicting residual stresses due to creep require significantly more viscoelastic material characterization.

Jenkins, Jerald M.↗

An improved data transfer and storage technique for hybrid computation

Improved technique was developed for transferring and storing data at faster than real time speeds on hybrid computer. Predominant advantage is combined use of electronic relays, track and store units, and analog-to-digital and digital-to-analog conversion units of hybrid computer.

Hansing, A. M.↗

Covalency of M–N Bonds in Isomorphous Lanthanide and Actinide 5-(2-Pyridyl)-1H-tetrazolate Complexes

Experimental and computational analyses of [M(pdtz) 3 (H 2 O) 3 ]·3.5H 2 O (M 3+ = Pu 3+ −Cm 3+ , La 3+ −Nd 3+ , and Sm 3+ −Ho 3+ , pdtz− = 5-(2-pyridyl)-1H-tetrazolate) were conducted to understand potential differences in bonding between lanthanide and actinide complexes with a N-donor ligand. Structural analyses show that the An−N bond distances in the Pu 3+ , Am 3+ , and Cm 3+ complexes are within error of one another. Whereas in the lanthanide series, there is a nearly linear decrease in the Ln−N bond lengths from La 3+ to Ho 3+ (excluding Pm 3+ ). The An−N bond lengths are ∼0.015 Å shorter than their similarly-sized lanthanide analogs, in agreement with computational results that suggest greater covalent character in these bonds versus those with lanthanides. QTAIM analysis indicates that the An−N orbital mixing remains essentially unchanged from Pu 3+ to Cm 3+ , consistent with the nearly identical An−N bond lengths. However, upon deconvolution of the NLMOs into orbital compositions, the metal orbital contributions to An−N bonding decreases slightly overall wherein the 6d involvement remains constant, 7s involvement slightly increases, and 5f participation decreases. The molecular orbital energy diagram indicates that energy degeneracy between the 5f metal and 2p ligand orbitals increases from Pu 3+ to Cm 3+ and counteracts the contraction of the 5f orbtials. Together with prior reports of decreasing energy degeneracy between 5f and 3p orbitals from Np 3+ to Cf 3+ , these observations provide guidance on understanding how chemical bonding evolves in the actinide series.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Computation of Sound Generated by Flow Over a Circular Cylinder: An Acoustic Analogy Approach

The sound generated by viscous flow past a circular cylinder is predicted via the Lighthill acoustic analogy approach. The two dimensional flow field is predicted using two unsteady Reynolds-averaged Navier-Stokes solvers. Flow field computations are made for laminar flow at three Reynolds numbers (Re = 1000, Re = 10,000, and Re = 90,000) and two different turbulent models at Re = 90,000. The unsteady surface pressures are utilized by an acoustics code that implements Farassat's formulation 1A to predict the acoustic field. The acoustic code is a 3-D code - 2-D results are found by using a long cylinder length. The 2-D predictions overpredict the acoustic amplitude; however, if correlation lengths in the range of 3 to 10 cylinder diameters are used, the predicted acoustic amplitude agrees well with experiment.

Brentner, Kenneth S.↗

The J3 SCR model applied to resonant converter simulation

The J3 SCR model is a continuous topology computer model for the SCR. Its circuit analog and parameter estimation procedure are uniformly applicable to popular computer-aided design and analysis programs such as SPICE2 and SCEPTRE. The circuit analog is based on the intrinsic three pn junction structure of the SCR. The parameter estimation procedure requires only manufacturer's specification sheet quantities as a data base.

Avant, R. L.↗

A radial basis function neurocomputer implemented with analog VLSI circuits

An electronic neurocomputer which implements a radial basis function neural network (RBFNN) is described. The RBFNN is a network that utilizes a radial basis function as the transfer function. The key advantages of RBFNNs over existing neural network architectures include reduced learning time and the ease of VLSI implementation. This neurocomputer is based on an analog/digital hybrid design and has been constructed with both custom analog VLSI circuits and a commercially available digital signal processor. The hybrid architecture is selected because it offers high computational performance while compensating for analog inaccuracies, and it features the ability to model large problems.

Watkins, Steven S.↗

Generative Thermodynamic Computing

Here, we introduce a generative modeling framework for thermodynamic computing, in which structured data are synthesized from noise by the natural time evolution of a physical system governed by Langevin dynamics. While conventional diffusion models use neural networks to perform denoising, here the information needed to generate structure from noise is encoded by the dynamics of a thermodynamic system. Training proceeds by maximizing the probability with which the computer generates the reverse of a noising trajectory, which ensures that the computer generates data with minimal heat emission. We demonstrate this framework within a digital simulation of a thermodynamic computer. If realized in analog hardware, such a system would function as a generative model that produces structured samples without the need for artificially injected noise or active control of denoising.

Whitelam, Stephen [Lawrence Berkeley National Labo↗

Software for Digital Acquisition System and Application to Environmental Monitoring

Criteria for selection of a minicomputer for use as a core resident acquisition system were developed for the ODU Mobile Air Pollution Laboratory. A comprehensive data acquisition program named MONARCH was instituted in a DEC-8/E-8K 12-bit computer. Up to 32 analog voltage inputs are scanned sequentially, converted to BCD, and then to actual numbers. As many as 16 external devices (valves or any other two-state device) are controlled independently. MONARCH is written as a foreground-background program, controlled by an external clock which interrupts once per minute. Transducer voltages are averaged over user specified time intervals and, upon completion of any desired time sequence, outputted are: day, hour, minute, second; state of external valves; average value of each analogue voltage (E Format); as well as standard deviations of these values. Output is compatible with any serially addressed media.

Copeland, G. E.↗