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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Automatisierte Generierung von Mikrokinetiken für heterogen katalysierte Reaktionen unter Berücksichtigung korrelierter Unsicherheiten**

Abstract Die Studie stellt eine ab initio basierte Methode für die automatische Konstruktion von detaillierten Mikrokinetiken vor, welche korrelierte Unsicherheiten in allen energetischen Parametern und Schätzroutinen berücksichtigt. Hierfür wurden innerhalb des Unsicherheitsraums des BEEF‐vdW Funktionals 2000 Mikrokinetiken für die Oxidationsreaktionen repräsentativer Abgasemissionen von stöchiometrischen Verbrennungsmotoren auf Pt(111) generiert und durch Multiskalenmodellierung mit Experimenten verglichen. Das Ensemble der Simulationsergebnisse unterstreicht die Bedeutung der Berücksichtigung von Unsicherheiten. Innerhalb dieses Ensembles ist es möglich, eine Mikrokinetik zu identifizieren, welche mit den experimentellen Daten übereinstimmt. Diese Mikrokinetik lässt sich auf ein einziges Austausch‐Korrelations‐Funktional zurückführen und legt nahe, dass Pt(111) das aktive Zentrum für die Oxidation leichter Kohlenwasserstoffe sein könnte. Die Studie bietet einen universellen Rahmen für die automatisierte Konstruktion von Reaktionsmechanismen unter Berücksichtigung korrelierter Unsicherheiten und ermöglicht eine DFT‐basierte Optimierung der Mikrokinetik auch für andere heterogen katalysierte Systeme.

Kreitz, Bjarne↗
DOE OSTI2021

Strongly Interacting Matter Under Rotation: An Introduction

Ultrarelativistic collisions between heavy nuclei briefly generate the quark-gluon plasma (QGP), a new state of matter characterized by deconfined par- tons last seen microseconds after the Big Bang. The properties of the QGP are of intense interest, and a large community has developed over several decades, to pro- duce, measure and understand this primordial plasma. The plasma is now recog- nized to be a strongly-coupled fluid with remarkable properties, and hydrodynamics is commonly used to quantify and model the system. An important feature of any fluid is its vorticity, related to the local angular momentum density; however, this degree of freedom has received relatively little attention because no experimental signals of vorticity had been detected. Thanks to recent high-statistics datasets from experiments with precision tracking and complete kinemetic coverage at collider energies, hyperon spin polarization measurements have begun to uncover the vor- ticity of the QGP created at the Relativistic Heavy Ion Collider. The injection of this new degree of freedom into a relatively mature field of research represents an enormous opportunity to generate new insights into the physics of the QGP. The community has responded with enthusiasm, and this book (to be published as a volume of Lecture Notes in Physics series by Springer) represents some of the diverse lines of inquiry into aspects of strongly interacting matter under rotation

Becattini, Francesco↗
DOE OSTI2021

The LISE package: solvers for static and time-dependent superfluid local density approximation equations in three dimensions

Nuclear implementation of the density functional theory (DFT) is at present the only microscopic framework applicable to the whole nuclear landscape. The extension of DFT to superfluid systems in the spirit of the Kohn-Sham approach, the superfluid local density approximation (SLDA) and its extension to time-dependent situations, time-dependent superfluid local density ap- proximation (TDSLDA), have been extensively used to describe various static and dynamical problems in nuclear physics, neutron star crust, and cold atom systems. In this paper, we present the codes that solve the static and time-dependent SLDA equations in three-dimensional coordinate space without any symmetry restriction. These codes are fully parallelized with the message passing interface (MPI) library and take advantage of graphic processing units (GPU) for accelerating execution. The dynamic codes have checkpoint/restart capabilities and for initial conditions one can use any generalized Slater determinant type of wave function. The code can describe a large number of physical problems: nuclear fission, collisions of heavy ions, the interaction of quantized vor- tices with nuclei in the nuclear star crust, excitation of superfluid fermion systems by time dependent external fields, quantum shock waves, domain wall generation and propagation, the dynamics of the Anderson-Bogoliubov-Higgs mode, dynamics of fragmented condensates, vortex rings dynamics, generation and dynamics of quantized vortices, their crossing and recombinations and the incipient phases of quantum turbulence.

Jin, Shi↗
DOE OSTI2022

AviSense: A Real-time System for Detection, Classification, and Analysis of Aviation Signals

Wireless systems are an integral part of aviation. Apart from their apparent use in air-to-ground communication, wireless systems play a crucial role in avionic functions including navigation and landing. An interference-free wireless environment is therefore critical for the uninterrupted operation and safety of an aircraft. Hence, there is an urgency for airport facilities to acquire the capability to continuously monitor aviation frequency bands for real-time detection of interference and anomalies. To meet this critical need, we design and build AviSense, an SDR-based real-time, versatile system for monitoring aviation bands. AviSense detects and characterizes signal activities to enable practical and effective anomaly detection. We identify and tackle the challenges posed by a diverse set of critical aviation bands and technologies. We evaluate our methodology with real-world aviation signal measurements and two custom datasets of anomalous signals. We find that our signal classification capability achieves a true positive rate of ~99%, with few exceptions, and a false positive rate of less than 4%. We also demonstrate that AviSense can effectively distinguish between different types of anomalies. We build and evaluate a prototype implementation of AviSense that supports distributed monitoring.

42 ENGINEERING↗
DOE OSTI2022

AviSense: A Real-time System for Detection, Classification, and Analysis of Aviation Signals

We present AviSense, an SDR-based real-time, versatile system for monitoring aviation bands. AviSense detects and characterizes signal activities to enable practical and effective anomaly detection. We identify and tackle the challenges posed by a diverse set of critical aviation bands and technologies. We evaluate our methodology with real-world aviation signal measurements and demonstrate that we can classify aviation signals as normal with 99% accuracy. We also provide an exhaustive evaluation of our anomalous signal detection capability and show that we can accurately classify anomalous signals with 99% accuracy, with few exceptions. We also demonstrate that AviSense can effectively distinguish between different types of anomalies. We build a prototype implementation of AviSense for distributed monitoring.

42 ENGINEERING↗
DOE OSTI2022

Advancing Federal Infrastructure Through Innovation: Customer Damage Function Calculator

Provides an overview of the National Renewable Energy Laboratory (NREL) Customer Damage Function (CDF) Calculator web tool, developed with funding and support from the Federal Energy Management Program (FEMP). The CDF Calculator is a screening tool that provides justification to site and/or headquarters leadership for resilience investments. It generates monetary values to justify investments in resilience solutions to prevent or lessen the impact of a grid outage at a facility.

CDF calculator↗