Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Computer science, Physics”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 811 records · Page 45

MO-DE-209-01: Primer On Tomosynthesis

Digital Breast Tomosynthesis (DBT) is rapidly replacing mammography as the standard of care in breast cancer screening and diagnosis. DBT is a form of computed tomography, in which a limited set of projection images are acquired over a small angular range and reconstructed into tomographic data. The angular range varies from 15° to 50° and the number of projections varies between 9 and 25 projections, as determined by the equipment manufacturer. It is equally valid to treat DBT as the digital analog of classical tomography – that is, linear tomography. In fact, the name “tomosynthesis” stands for “synthetic tomography.” DBT shares many common features with classical tomography, including the radiographic appearance, dose, and image quality considerations. As such, both the science and practical physics of DBT systems is a hybrid between computed tomography and classical tomographic methods. In this lecture, we will explore the continuum from radiography to computed tomography to illustrate the characteristics of DBT. This lecture will consist of four presentations that will provide a complete overview of DBT, including a review of the fundamentals of DBT acquisition, a discussion of DBT reconstruction methods, an overview of dosimetry for DBT systems, and summary of the underlying image theory of DBT thereby relating image quality and dose. Learning Objectives: To understand the fundamental principles behind tomosynthesis image acquisition. To understand the fundamentals of tomosynthesis image reconstruction. To learn the determinants of image quality and dose in DBT, including measurement techniques. To learn the image theory underlying tomosynthesis, and the relationship between dose and image quality. ADM is a consultant to, and holds stock in, Real Time Tomography, LLC. ADM receives research support from Hologic Inc., Analogic Inc., and Barco NV.; ADM is a member of the Scientific Advisory Board for Gamma Medica Inc.; A. Maidment, Research Support, Hologic, Inc.; Research Support, Barco, Inc.; Scientific Advisory Board, Gamma Medica, Inc.; Scientific Advisory Board, Real-Time Tomography, LLC.; Shareholder, Real-Time Tomography, LLC; J. Mainprize, Our lab has a research agreement with GE Healthcare on various topics in digital mammography and digital tomosynthesis; W. Zhao, Research grant from Siemens Health Care.

60 APPLIED LIFE SCIENCES↗

MO-DE-209-02: Tomosynthesis Reconstruction Methods

Digital Breast Tomosynthesis (DBT) is rapidly replacing mammography as the standard of care in breast cancer screening and diagnosis. DBT is a form of computed tomography, in which a limited set of projection images are acquired over a small angular range and reconstructed into tomographic data. The angular range varies from 15° to 50° and the number of projections varies between 9 and 25 projections, as determined by the equipment manufacturer. It is equally valid to treat DBT as the digital analog of classical tomography – that is, linear tomography. In fact, the name “tomosynthesis” stands for “synthetic tomography.” DBT shares many common features with classical tomography, including the radiographic appearance, dose, and image quality considerations. As such, both the science and practical physics of DBT systems is a hybrid between computed tomography and classical tomographic methods. In this lecture, we will explore the continuum from radiography to computed tomography to illustrate the characteristics of DBT. This lecture will consist of four presentations that will provide a complete overview of DBT, including a review of the fundamentals of DBT acquisition, a discussion of DBT reconstruction methods, an overview of dosimetry for DBT systems, and summary of the underlying image theory of DBT thereby relating image quality and dose. Learning Objectives: To understand the fundamental principles behind tomosynthesis image acquisition. To understand the fundamentals of tomosynthesis image reconstruction. To learn the determinants of image quality and dose in DBT, including measurement techniques. To learn the image theory underlying tomosynthesis, and the relationship between dose and image quality. ADM is a consultant to, and holds stock in, Real Time Tomography, LLC. ADM receives research support from Hologic Inc., Analogic Inc., and Barco NV.; ADM is a member of the Scientific Advisory Board for Gamma Medica Inc.; A. Maidment, Research Support, Hologic, Inc.; Research Support, Barco, Inc.; Scientific Advisory Board, Gamma Medica, Inc.; Scientific Advisory Board, Real-Time Tomography, LLC.; Shareholder, Real-Time Tomography, LLC; J. Mainprize, Our lab has a research agreement with GE Healthcare on various topics in digital mammography and digital tomosynthesis; W. Zhao, Research grant from Siemens Health Care.

60 APPLIED LIFE SCIENCES↗

MO-DE-209-03: Assessing Image Quality

Digital Breast Tomosynthesis (DBT) is rapidly replacing mammography as the standard of care in breast cancer screening and diagnosis. DBT is a form of computed tomography, in which a limited set of projection images are acquired over a small angular range and reconstructed into tomographic data. The angular range varies from 15° to 50° and the number of projections varies between 9 and 25 projections, as determined by the equipment manufacturer. It is equally valid to treat DBT as the digital analog of classical tomography – that is, linear tomography. In fact, the name “tomosynthesis” stands for “synthetic tomography.” DBT shares many common features with classical tomography, including the radiographic appearance, dose, and image quality considerations. As such, both the science and practical physics of DBT systems is a hybrid between computed tomography and classical tomographic methods. In this lecture, we will explore the continuum from radiography to computed tomography to illustrate the characteristics of DBT. This lecture will consist of four presentations that will provide a complete overview of DBT, including a review of the fundamentals of DBT acquisition, a discussion of DBT reconstruction methods, an overview of dosimetry for DBT systems, and summary of the underlying image theory of DBT thereby relating image quality and dose. Learning Objectives: To understand the fundamental principles behind tomosynthesis image acquisition. To understand the fundamentals of tomosynthesis image reconstruction. To learn the determinants of image quality and dose in DBT, including measurement techniques. To learn the image theory underlying tomosynthesis, and the relationship between dose and image quality. ADM is a consultant to, and holds stock in, Real Time Tomography, LLC. ADM receives research support from Hologic Inc., Analogic Inc., and Barco NV.; ADM is a member of the Scientific Advisory Board for Gamma Medica Inc.; A. Maidment, Research Support, Hologic, Inc.; Research Support, Barco, Inc.; Scientific Advisory Board, Gamma Medica, Inc.; Scientific Advisory Board, Real-Time Tomography, LLC.; Shareholder, Real-Time Tomography, LLC; J. Mainprize, Our lab has a research agreement with GE Healthcare on various topics in digital mammography and digital tomosynthesis; W. Zhao, Research grant from Siemens Health Care.

60 APPLIED LIFE SCIENCES↗

Interplay of Magnetism and Superconductivity in van der Waals Heterostructures (Final report)

This project has investigated the magnetic and electric properties of 2D materials, with emphasis on the (anti-)ferromagnetic properties of 2D crystalline magnets and a new concept for stacking engineering of 2D ferroelectricity. The new basic physics fundamental knowledge obtained through this research may have important implications for future technologies based on magnetism and ferroelectricity, for example spintronics, quantum information science, or neuromorphic computing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Learning stochastic dynamics and predicting emergent behavior using transformers

We show that a neural network originally designed for language processing can learn the dynamical rules of a stochastic system by observation of a single dynamical trajectory of the system, and can accurately predict its emergent behavior under conditions not observed during training. We consider a lattice model of active matter undergoing continuous-time Monte Carlo dynamics, simulated at a density at which its steady state comprises small, dispersed clusters. We train a neural network called a transformer on a single trajectory of the model. The transformer, which we show has the capacity to represent dynamical rules that are numerous and nonlocal, learns that the dynamics of this model consists of a small number of processes. Forward-propagated trajectories of the trained transformer, at densities not encountered during training, exhibit motility-induced phase separation and so predict the existence of a nonequilibrium phase transition. Transformers have the flexibility to learn dynamical rules from observation without explicit enumeration of rates or coarse-graining of configuration space, and so the procedure used here can be applied to a wide range of physical systems, including those with large and complex dynamical generators.

97 MATHEMATICS AND COMPUTING↗

A comparison of Gaussian processes and neural networks for computer model emulation and calibration

The Department of Energy relies on complex physics simulations for prediction in domains like cosmology, nuclear theory, and materials science. These simulations are often extremely computationally intensive, with some requiring days or weeks for a single simulation. In order to assure their accuracy, these models are calibrated against observational data in order to estimate inputs and systematic biases. Because of their great computational complexity, this process typically requires the construction of an emulator, a fast approximation to the simulation. In this paper, two emulator approaches are compared: Gaussian process regression and neural networks. Their emulation accuracy and calibration performance on three real problems of Department of Energy interest is considered. On these problems, the Gaussian process emulator tends to be more accurate with narrower, but still well-calibrated uncertainty estimates. The neural network emulator is accurate, but tends to have large uncertainty on its predictions. Finally, as a result, calibration with the Gaussian process emulator produces more constrained posteriors that still perform well in prediction.

97 MATHEMATICS AND COMPUTING↗

The journey from forensic to predictive materials science using density functional theory

Approximate methods for electronic structure, implemented in sophisticated computer codes and married to ever-more powerful computing platforms, have become invaluable in chemistry and materials science. The maturing and consolidation of quantum chemistry codes since the 1980s, based upon explicitly correlated electronic wave functions, has made them a staple of modern molecular chemistry. Here, the impact of first principles electronic structure in physics and materials science had lagged owing to the extra formal and computational demands of bulk calculations.

36 MATERIALS SCIENCE↗

DeePKS-kit: A package for developing machine learning-based chemically accurate energy and density functional models

We introduce DeePKS-kit, an open-source software package for developing machine learning based energy and density functional models. DeePKS-kit is interfaced with PyTorch, an open-source machine learning library, and PySCF, an ab initio computational chemistry program that provides simple and customized tools for developing quantum chemistry codes. It supports the DeePHF and DeePKS methods. In addition to explaining the details in the methodology and the software, we also provide an example of developing a chemically accurate model for water clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Multiscale Investigation of the Mechanisms Controlling Materials Degradation in the Fusion Energy Environment (DE-SC0006661: Final Report)

Realizing the promise of fusion as a commercially attractive energy source requires the development of advanced structural materials capable of sustained operation in an incredibly hostile environment. The fusion environment presents many challenges associated with high cyclic thermal-mechanical loadings, welding and joining disparate materials, and achieving chemical compatibility with coolants and tritium breeders. Yet, the overarching concern is the degradation of physical and mechanical properties, resulting from a neutron energy spectrum peaked at 14 MeV. The high-energy fusion neutron irradiation produces both displacement damage and high levels of hydrogen and helium through transmutation reactions. Advanced materials development for use in such a hostile environment is predicated on understanding the underlying mechanisms responsible for physical and material property degradation. This project has closely combined computational, theoretical and experimental techniques within a multiscale materials science paradigm to determine the mechanisms controlling material degradation in the fusion environment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

What do we mean by the word “Shock”?

From one vantage point, a shock is a continuous but drastic change in state variables that occurs over very small time and length scales. These scales and associated changes in state variables can be measured experimentally. From another vantage point, a shock is a mathematical singularity consisting of instantaneous changes in state variables. This more mathematical view gives rise to analytical solutions to idealized problems. And from a third vantage point, a shock is a structure in a hydrocode prediction. Its width depends on the simulation’s grid resolution and artificial viscosity. These three vantage points can be in conflict when ideas from the associated fields are combined, and yet combining them is an important goal of an integrated modeling program. This presentation explores an example of how models for real materials in the presence of real shocks react to a hydrocode’s numerical shocks of finite width. The presentation will include an introduction to plasticity for the novice, an historical view of plasticity algorithms, a demonstration of how pursuing the meaning of “shock” has resulted in hydrocode improvements, and will conclude by answering some of the questions that arise from that pursuit. After the technical part of the presentation, a few slides advertising LANL’s Computational Physics Student Summer Workshop will be shown.

36 MATERIALS SCIENCE↗

A Future State for NASA Laboratories - Working in the 21st Century

The name "21 st Century Laboratory" is an emerging concept of how NASA (and the world) will conduct research in the very near future. Our approach is to carefully plan for significant technological changes in products, organization, and society. The NASA mission can be the beneficiary of these changes, provided the Agency prepares for the role of 21st Century laboratories in research and technology development and its deployment in this new age. It has been clear for some time now that the technology revolutions, technology "mega-trends" that we are in the midst of now, all have a common element centered around advanced computational modeling of small scale physics. Whether it is nano technology, bio technology or advanced computational technology, all of these megatrends are converging on science at the very small scale where it is profoundly important to consider the quantum effects at play with physics at that scale. Whether it is the bio-technology creation of "nanites" designed to mimic our immune system or the creation of nanoscale infotechnology devices, allowing an order of magnitude increase in computational capability, all involve quantum physics that serves as the heart of these revolutionary changes.

Kegelman, Jerome T.↗

The Laboratory for Terrestrial Physics

The Laboratory for Terrestrial Physics is dedicated to the advancement of knowledge in Earth and planetary science, by conducting innovative research using space technology. The Laboratory's mission and activities support the work and new initiatives at NASA's Goddard Space Flight Center (GSFC). The Laboratory's success contributes to the Earth Science Directorate as a national resource for studies of Earth from Space. The Laboratory is part of the Earth Science Directorate based at the GSFC in Greenbelt, MD. The Directorate itself is comprised of the Global Change Data Center (GCDC), the Space Data and Computing Division (SDCD), and four science Laboratories, including Laboratory for Terrestrial Physics, Laboratory for Atmospheres, and Laboratory for Hydrospheric Processes all in Greenbelt, MD. The fourth research organization, Goddard Institute for Space Studies (GISS), is in New York, NY. Relevant to NASA's Strategic Plan, the Laboratory ensures that all work undertaken and completed is within the vision of GSFC. The philosophy of the Laboratory is to balance the completion of near term goals, while building on the Laboratory's achievements as a foundation for the scientific challenges in the future.

Source record↗

Collaborative Defense of Transmission and Distribution Protection and Control Devices Against Cyber Attacks (CODEF) DE-OE0000674. ABB Inc. Final Scientific/Technical Report

This report summarizes the activities conducted under the DOE-OE funded project DEOE0000674, where ABB Inc. (ABB), in collaboration with University of Illinois at Urbana-Champaign (UIUC), Bonneville Power Administration (BPA), and Ameren-Illinois (Ameren-IL) pursued the development of a system of collaborative defense of electrical substation’s intelligent electronic devices against cyber-attacks (CODEF). An electrical substation with CODEF features will be more capable of mitigating cyber-attacks especially those that seek to control switching devices. It leverages the security extensions of IEC 61850 to empower existing devices to collaborate in identifying and blocking malicious intents to trip circuit breakers, mis-coordinate devices settings, even though the commands and the measurements comply with correct syntax. The CODEF functions utilize the physics of electromagnetic systems, electric power engineering principles, and computer science to bring more in depth cyber defense closer to the protected substation devices.

97 MATHEMATICS AND COMPUTING↗

A hybrid adaptive multiresolution approach for the efficient simulation of reactive flows

Computational studies that use block-structured adaptive mesh refinement (AMR) approaches suffer from unnecessarily high mesh resolution in regions adjacent to important solution features. This deficiency limits the performance of AMR codes. In this work a novel hybrid adaptive multiresolution (HAMR) approach to AMR-based calculations is introduced to address this issue. The multiresolution (MR) smoothness indicators are used to identify regions of smoothness on the mesh where the computational cost of individual physics solvers may be decreased by replacing direct calculations with interpolation. We suggest an approach to balance the errors due to the adaptive discretization and the interpolation of physics quantities such that the overall accuracy of the HAMR solution is consistent with that of the MR-driven AMR solution. The performance of the HAMR scheme is evaluated for a range of test problems, from pure hydrodynamics to turbulent combustion.

97 MATHEMATICS AND COMPUTING↗

SciDAC – PSI: Plasma Surface Interactions involving Tungsten - A Summary of Project Accomplishments

Gaining physics understanding and predictive capabilities to describe the evolution of plasma facing components (PFC) requires simultaneously addressing complex and diverse physics occurring over a wide range of length and time scales, as well as integrating extensive physical processes across the plasma - surface - bulk materials boundaries. This requires development not only of detailed physics models and computational strategies at each of these scales, but computer science algorithms and methods to strongly couple them in a way that can be robustly validated through comparisons against available data and new experiments. Therefore, the objective of this project is to develop robust, high-fidelity simulation tools capable of predicting the PFC operating lifetime and the PFC impact on plasma contamination, recycling of hydrogenic species, and tritium retention in future magnetic fusion devices, with a focus on tungsten based material systems. Deploying these tools requires the development of a leadershipscale computational code, as well as a host of simulations that span the multiple scales needed to address complex physical and computational issues at the plasma - surface interface and the transition below the surface where neutron damage processes in the bulk material dominate behavior in multiple-component materials systems. Successful development will enable improved prediction of PFC performance needed to ensure magnetic fusion energy development beyond ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Projection algorithm for state preparation on quantum computers

We present an efficient method to prepare states of a many-body system on quantum hardware, first isolating individual quantum numbers and then using time evolution to isolate the energy. Our method in its simplest form requires only one additional auxiliary qubit. The total time evolved for an accurate solution is proportional to the ratio of the spectrum range of the trial state to the gap to the lowest excited state, a substantial improvement over other projection algorithms, and the accuracy increases exponentially with the time evolved. Isolating the quantum numbers is efficient because of the known eigenvalues and increases the gap thus shortening the propagation time required. The success rate of the algorithm, or the probability of producing the desired state, is a simple function of measurement times and phases and is dominated by the square overlap of the original state to the desired state. We present examples from the nuclear shell model and the Heisenberg model. In conclusion, we compare this algorithm to previous algorithms for short evolution times and discuss potential further improvements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Learning from learning machines: improving the predictive power of energy-water-land nexus models with insights from complex measured and simulated data

Focal Area(s): Insights gleaned from complex data (observed and simulated) using AI; Predictive modeling through the use of AI techniques and AI-derived model components, including physics- and knowledge-informed models; Energy-water-land nexus and integrated energy systems – models of MultiSector dynamics. Science Challenge: Scientific communities are in need of tools for the computational integration of physics-based models, experimental data, and empirical/observational studies across a broad range of temporal and spatial scales to explore and meet EESSD grand challenges. We require AI algorithms for the discovery of process-drivers in the Earth-energy-human system and to link them with complex measured and simulated data. We aim to understand the energy-water-land nexus, particularly under extreme forcing scenarios and rare events, leveraging scale-aware AI process models, including probabilistic uncertainties, and benefiting from the emerging 5G-enabled landscape-scale sensing and edge computing capabilities. These models are needed to identify instabilities and tipping points that manifest extreme system behaviors with consequences for integrated energy systems and the environment. This work requires fundamental advances in uncertainty quantification, in particular, to identify and model unlikely but catastrophic outliers. Specifically, we need models that are interpretable to domain scientists and, essentially, explainable to public and private stake holders.

54 ENVIRONMENTAL SCIENCES↗