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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 127 records · Page 7

Bindee

Bindee is a clang tool that outputs a simple pybind11 template given a C++ file for efficient generation of C++-Python bindings. Bindee is intended to be a helper tool for minimizing initial user effort and safeguarding against common runtime errors. Bindee relies on two open-source software to produce bindings. Clang's LibTooling enables bindee to traverse a C++ file's AST to pick out bindable variables and functions, or "bindees." PyBind11 is templated, header-only library for generating C++-Python bindings for variables and functions. Operating purely in C++, bindee does not require learning any new API for accomplishing its task. Additionally, picking the correct pybind11 API for a given bindable element is handled without interaction from the user. Any user input is denoted by '@TEXT@' string substitution. Bindee is capable of generating modular bindings for public class methods, public class variables, enumerations, and free functions and variables. Bindings for templates are also supported. For those familiar with pybind11, bindee does not handle trampolines, C++ extensions through lambdas, or custom type casters.

Kimkno, JasonS.↗

Etch Profile Simulation Using Level Set Methods

Etching and deposition of materials are critical steps in semiconductor processing for device manufacturing. Both etching and deposition may have isotropic and anisotropic components, due to directional sputtering and redeposition of materials, for example. Previous attempts at modeling profile evolution have used so-called "string theory" to simulate the moving solid-gas interface between the semiconductor and the plasma. One complication of this method is that extensive de-looping schemes are required at the profile corners. We will present a 2D profile evolution simulation using level set theory to model the surface. (1) By embedding the location of the interface in a field variable, the need for de-looping schemes is eliminated and profile corners are more accurately modeled. This level set profile evolution model will calculate both isotropic and anisotropic etch and deposition rates of a substrate in low pressure (10s mTorr) plasmas, considering the incident ion energy angular distribution functions and neutral fluxes. We will present etching profiles of Si substrates in Ar/Cl2 discharges for various incident ion energies and trench geometries.

Hwang, Helen H.↗

Field Experience Detecting PV Underperformance in Real Time Using Existing Instrumentation

Maintenance at large-scale photovoltaic plants employs a mix of preventative and corrective maintenance practices. Large outages, such as an inverter tripping offline, are often easy to detect. More subtle sub-inverter faults and failures can accumulate and go unnoticed for months or years. A software-based fault detection method has been developed to analyze commonly measured data from large-scale PV plants for more timely detection of subtle underperformance. The method has been demonstrated on eight datasets from large-scale plants with high accuracy of detection. Results are validated using aerial infrared scanning. String outages are detected with a true positive rate of 73 percent and tracker issues are detected with a true positive rate of 88 percent. The developed method can be uniformly applied to photovoltaic plants across a range of scales and configurations to assess performance, quickly detect underperformance, and determine the source and location of failures. The results inform and improve operations and maintenance at PV plants, ultimately aiding in improved affordability, reliability, availability, and resiliency of solar electricity.

14 SOLAR ENERGY↗

Even spheres as joint spectra of matrix models

The Clifford spectrum is a form of joint spectrum for noncommuting matrices. This theory has been applied in photonics, condensed matter and string theory. In applications, the Clifford spectrum can be efficiently approximated using numerical methods, but this only is possible in low dimensional example. In this paper we examine the higher-dimensional spheres that can arise from theoretical examples. We also describe a constructive method to generate five real symmetric almost commuting matrices that have a K-theoretical obstruction to being close to commuting matrices. For this, we look to matrix models of topological electric circuits.

97 MATHEMATICS AND COMPUTING↗

Creation of Polymer Datasets with Targeted Backbones for Screening of High-Performance Membranes for Gas Separation

A simple approach was developed to computationally construct a polymer dataset by combining simplified molecular-input line-entry system (SMILES) strings of a targeted polymer backbone and a variety of molecular fragments. This method was used to create 14 polymer datasets by combining seven polymer backbones and molecules from two large molecular datasets (MOSES and QM9). Polymer backbones that were studied include four polydimethylsiloxane (PDMS) based backbones, poly(ethylene oxide) (PEO), poly(allyl glycidyl ether) (PAGE), and polyphosphazene (PPZ). The generated polymer datasets can be used for various cheminformatics tasks, including high-throughput screening for gas permeability and selectivity. This study utilized machine learning (ML) models to screen the polymers for CO2/CH4 and CO2/N2 gas separation using membranes. Several polymers of interest were identified. Here the results highlight that employing an ML model fitted to polymer selectivities leads to higher accuracy in predicting polymer selectivity compared to using the ratio of predicted permeabilities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bi-Filar Coil Winding for Fast Quench Protection

As superconducting magnet technology is pushed towards higher performance, energy density and total stored energy follow exponentially. Protecting magnets becomes substantially more challenging with traditional methods being stretched to their limits. New technologies such as CLIQ (Coupling Loss Induced Quench) promise to provide a robust method to protect advanced magnets, however they become inductance limited in large magnet strings or at low field, leading to more complex configurations. A technique to substantially reduce this limitation and improve response time is presented, by winding coils in a bifilar fashion and connecting them in series for typical operation, while providing an anti-parallel connection for quasi-zero-inductance in a protection case. This allows for extremely high di/dt. The concept is then demonstrated on a small REBCO coil.

43 PARTICLE ACCELERATORS↗

Bi-Filar Coil Winding for Fast Quench Protection

As superconducting magnet technology is pushed towards higher performance, energy density and total stored energy follow exponentially. Protecting magnets becomes substantially more challenging with traditional methods being stretched to their limits. New technologies such as CLIQ promise to provide a robust method to protect advanced magnets, however they become inductance limited in large magnet strings or at low field, leading to more complex configurations. A technique to substantially reduce this limitation and improve response time is presented, by winding a coil in a bifilar fashion. This allows for extremely high di/dt. The concept is then demonstrated on a small REBCO coil.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Final Project Report for DOE Grant NO.: DE-SC0010534 Period: Sept 2013-March 31, 2016

Higher spin theories has been an active area of research in recent years. One of the main research activities of the PI Murat Gunaydin over the period of this grant has been the application of quasiconformal methods to construct and study higher spin (HS) algebras and superalgebras in various dimensions. Over the past decade work on amplitudes in gauge theories, supergravity and string theories has been a very active area of research. Enormous progress has been made in the understanding of the structure of amplitudes in these theories. The novel methods and results obtained have made it possible to do calculations in gauge theories and supergravity theories that go well beyond the calculations one can do using the old-fashioned Feynman diagram techniques. Work on amplitudes in matter-coupled supergravity theories has been the second main focus of the PI during the funding period. The previous work of the PI on supergravity theories has played a fundamentally important role in the current work on amplitudes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

High voltage DC power conversion system and method of operating the same

A fraction rated conversion system for coupling a plurality of high voltage direct current (HVDC) power strings in parallel to an HVDC transmission system includes at least one fraction rated power converter coupled to the plurality of HVDC power strings and at least one capacitive device coupled to the at least one fraction rated power converter. The at least one fraction rated power converter and the at least one capacitive device regulate a differential voltage across each HVDC power string of the plurality of HVDC power strings to be substantially similar to each other.

17 WIND ENERGY↗

Simplified projection on total spin zero for state preparation on quantum computers

Here, we introduce a simple algorithm for projecting on J = 0 states of a many-body system by performing a series of rotations to remove states with angular momentum projections greater than zero. Existing methods rely on unitary evolution with the two-body operator J 2 , which when expressed in the computational basis contains many complicated Pauli strings requiring Trotterization and leading to very deep quantum circuits. Our approach performs the necessary projections using the one-body operators J x and J z . By leveraging the method of Cartan decomposition, the unitary transformations that perform the projection can be parametrized as a product of a small number of two-qubit rotations, with angles determined by an efficient classical optimization. Given the reduced complexity in terms of gates, this approach can be used to prepare approximate ground states of even-even nuclei by projecting onto the J = 0 component of deformed Hartree-Fock states. We estimate the resource requirements in terms of the universal gate set {H,S, CNOT ,T} and briefly discuss a variant of the algorithm that projects onto J = 1/2 states of a system with an odd number of fermions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Real-time dynamics of the Schwinger model as an open quantum system with Neural Density Operators

Ab-initio simulations of multiple heavy quarks propagating in a Quark-Gluon Plasma are computationally difficult to perform due to the large dimension of the space of density matrices. This work develops machine learning algorithms to overcome this difficulty by approximating exact quantum states with neural network parametrisations, specifically Neural Density Operators. As a proof of principle demonstration in a QCD-like theory, the approach is applied to solve the Lindblad master equation in the 1 + 1d lattice Schwinger Model as an open quantum system. Neural Density Operators enable the study of in-medium dynamics on large lattice volumes, where multiple-string interactions and their effects on string-breaking and recombination phenomena can be studied. Thermal properties of the system at equilibrium can also be probed with these methods by variationally constructing the steady state of the Lindblad master equation. Scaling of this approach with system size is studied, and numerical demonstrations on up to 32 spatial lattice sites and with up to 3 interacting strings are performed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Single-Center Experience Implementing the LOINC-RSNA Radiology Playbook for Adult Abdomen/Pelvis CT and MR Procedures Using a Semi-Automated Method

The LOINC-RSNA Radiology Playbook represents the future direction of standardization for radiology procedure names. We developed a software solution (“RadMatch”) utilizing Python 2.7 and FuzzyWuzzy, an open-source fuzzy string matching algorithm created by SeatGeek, to implement the LOINC-RSNA Radiology Playbook for adult abdomen and pelvis CT and MR procedures performed at our institution. Execution of this semi-automated method resulted in the assignment of appropriate LOINC numbers to 86% of local CT procedures. For local MR procedures, appropriate LOINC numbers were assigned to 75% of these procedures whereas 12.5% of local MR procedures could only be partially mapped. For the standardized local procedures, only 63% of CT and 71% of MR procedures had corresponding RadLex Playbook identifier (RPID) codes in the LOINC-RSNA Radiology Playbook, which limited the utility of RPID codes. RadMatch is a semi-automated open-source software tool that can assist radiology departments seeking to standardize their radiology procedures via implementation of the LOINC-RSNA Radiology Playbook.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Framework for simulating gauge theories with dipolar spin systems

Gauge theories appear broadly in physics, ranging from the standard model of particle physics to long-wavelength descriptions of topological systems in condensed matter. However, systems with sign problems are largely inaccessible to classical computations and also beyond the current limitations of digital quantum hardware. In this work, we develop an analog approach to simulating gauge theories with an experimental setup that employs dipolar spins (molecules or Rydberg atoms). We consider molecules fixed in space and interacting through dipole-dipole interactions, avoiding the need for itinerant degrees of freedom. Each molecule represents either a site or gauge degree of freedom, and Gauss's law is preserved by a direct and programmatic tuning of positions and internal state energies. This approach can be regarded as a form of analog systems programming and charts a path forward for near-term quantum simulation. As a first step, we numerically validate this scheme in a small-system study of U(1) quantum link models in (1+1) dimensions with link spin S = 1/2 and S =1 and illustrate how dynamical phenomena such as string inversion and string breaking could be observed in near-term experiments. Our work brings together methods from atomic and molecular physics, condensed matter physics, high-energy physics, and quantum information science for the study of nonperturbative processes in gauge theories.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Automating Detection and Diagnosis of Faults, Failures, and Underperformance in PV Plants

The project developed hybrid physics-based and machine-learning methods for near-real-time detection of balance-of-system faults (e.g., string, combiner, and tracker outages) in utility-scale Photovoltaic plants, achieving over 50% true positive rates with under 10% false positives and significantly reducing engineering setup time. In the extended phase, the scope expanded to plant-level underperformance analysis and industry benchmarking through the SUPER.epri.com platform. SUPER standardizes data processing and performance metrics across more than 9 GWac and 120+ plants, enabling robust comparisons and insights into loss rates, inverter downtime, and capacity degradation.

14 SOLAR ENERGY↗

Application of Nuclear Well Logging Techniques to Lunar Resource Assessment

The use of neutron and gamma ray measurements for the analysis of material composition has become well established in the last 40 years. Schlumberger has pioneered the use of this technology for logging wells drilled to produce oil and gas, and for this purpose has developed neutron generators that allow measurements to be made in deep (5000 m) boreholes under adverse conditions. We also make ruggedized neutron and gamma ray detector packages that can be used to make reliable measurements on the drill collar of a rotating drill string while the well is being drilled, where the conditions are severe. Modern nuclear methods used in logging measure rock formation parameters like bulk density and porosity, fluid composition, and element abundances by weight including hydrogen concentration. The measurements are made with high precision and accuracy. These devices (well logging sondes) share many of the design criteria required for remote sensing in space; they must be small, light, rugged, and able to perform reliably under adverse conditions. We see a role for the adaptation of this technology to lunar or planetary resource assessment missions.

Albats, P.↗

Simulation of Etching Profiles Using Level Sets

Using plasma discharges to etch trenches and via holes in substrates is an important process in semiconductor manufacturing. Ion enhanced etching involves both neutral fluxes, which are isotropic, and ion fluxes, which are anisotropic. The angular distributions for the ions determines the degree of vertical etch, while the amount of the neutral fluxes determines the etch rate. We have developed a 2D profile evolution simulation which uses level set methods to model the plasma-substrate interface. Using level sets instead of traditional string models avoids the use of complicated delooping algorithms. The simulation calculates the etch rate based on the fluxes and distribution functions of both ions and neutrals. We will present etching profiles of Si substrates in low pressure (10s mTorr) Ar/Cl2 discharges for a variety of incident ion angular distributions. Both ion and neutral re-emission fluxes are included in the calculation of the etch rate, and their contributions to the total etch profile will be demonstrated. In addition, we will show RIE lag effects as a function of different trench aspect ratios. (For sample profiles, please see http://www.ipt.arc.nasa.gov/hwangfig1.html)

Hwang, Helen↗

Deciding Termination for Ancestor Match- Bounded String Rewriting Systems

Termination of a string rewriting system can be characterized by termination on suitable recursively defined languages. This kind of termination criteria has been criticized for its lack of automation. In an earlier paper we have shown how to construct an automated termination criterion if the recursion is aligned with the rewrite relation. We have demonstrated the technique with Dershowitz's forward closure criterion. In this paper we show that a different approach is suitable when the recursion is aligned with the inverse of the rewrite relation. We apply this idea to Kurth's ancestor graphs and obtain ancestor match-bounded string rewriting systems. Termination is shown to be decidable for this class. The resulting method improves upon those based on match-boundedness or inverse match-boundedness.

Geser, Alfons↗