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Advances in refrigeration and heat transfer engineering

This special edition of Science and Technology for the Built Environment (STBE) presents selected high quality papers that were presented at the 15th International Refrigeration and Air Conditioning Conference held at Purdue University during July 14-17 2014. All papers went through the additional review before being finally accepted for publication in this special issue of Science and Technology and the Built Environment. Altogether 20 papers made to this special issue that cover a wide range of topics, including advancements in alternative refrigerants, heat exchangers/heat transfer, nano-fluids, systems design and optimization and modeling approaches. Although CO 2 may perhaps have been the most researched and popular refrigerant in the past decade, R32 is being seriously considered lately as an alternative and environmentally friendly refrigerant for small systems due to its low Global Warming Potential (GWP).

54 ENVIRONMENTAL SCIENCES↗

Influence of Markovianity and self-consistency on time-resolved spectral functions of driven quantum systems

We present a systematic comparison of the real-time Dyson expansion (RTDE) with established nonequilibrium Green's function (GF) approaches for simulating driven, interacting quantum systems. Focusing on density matrix dynamics, time-off-diagonal GFs, and time-resolved photoemission spectra, we benchmark RTDE against fully self-consistent Kadanoff-Baym equation (KBE) calculations, the generalized Kadanoff-Baym ansatz, and exact diagonalization for small systems using second-order many-body perturbation theory. Using a driven two-band Hubbard model, we show that mean-field single-particle density matrix trajectories provide a reliable baseline for RTDE across a broad range of interaction strengths and excited-carrier populations. Further, RTDE accurately captures correlation effects in the GFs, including long-lived oscillations and revivals that are strongly suppressed by the overdamping inherent to self-consistent KBE schemes. As a consequence, RTDE resolves rich nonequilibrium spectral structure in time-resolved photoemission, such as interaction- and population-dependent quasiparticle splittings and band gap renormalization, which are largely washed out in self-consistent approaches yet are present in exact solutions. Furthermore, our results demonstrate that RTDE bridges the gap between mean-field propagation and full two-time KBE simulations, retaining favorable linear scaling while capturing essential dynamical correlations relevant for ultrafast spectroscopy.

Electronic structure↗

Overview of the Small Aircraft Transportation System Project Four Enabling Operating Capabilities

It has become evident that our commercial air transportation system is reaching its peak in terms of capacity, with numerous delays in the system and the demand still steadily increasing. NASA, FAA, and the National Consortium for Aviation Mobility (NCAM) have partnered to aid in increasing the mobility throughout the United States through the Small Aircraft Transportation System (SATS) project. The SATS project has been a five-year effort to provide the technical and economic basis for further national investment and policy decisions to support a small aircraft transportation system. The SATS vision is to enable people and goods to have the convenience of on-demand point-to-point travel, anywhere, anytime for both personal and business travel. This vision can be obtained by expanding near all-weather access to more than 3,400 small community airports that are currently under-utilized throughout the United States. SATS has focused its efforts on four key operating capabilities that have addressed new emerging technologies, procedures, and concepts to pave the way for small aircraft to operate in nearly all weather conditions at virtually any runway in the United States. These four key operating capabilities are: Higher Volume Operations at Non-Towered/Non-Radar Airports, En Route Procedures and Systems for Integrated Fleet Operations, Lower Landing Minimums at Minimally Equipped Landing Facilities, and Increased Single Pilot Performance. The SATS project culminated with the 2005 SATS Public Demonstration in Danville, Virginia on June 5th-7th, by showcasing the accomplishments achieved throughout the project and demonstrating that a small aircraft transportation system could be viable. The technologies, procedures, and concepts were successfully demonstrated to show that they were safe, effective, and affordable for small aircraft in near all weather conditions. The focus of this paper is to provide an overview of the technical and operational feasibility of the four operating capabilities, and explain how they can enable a small aircraft transportation system.

Viken, Sally A.↗

Overview of the Small Aircraft Transportation System Project Four Enabling Operating Capabilities

It has become evident that our commercial air transportation system is reaching its peak in terms of capacity, with numerous delays in the system and the demand still steadily increasing. NASA, FAA, and the National Consortium for Aviation Mobility (NCAM) have partnered to aid in increasing the mobility throughout the United States through the Small Aircraft Transportation System (SATS) project. The SATS project has been a five-year effort to provide the technical and economic basis for further national investment and policy decisions to support a small aircraft transportation system. The SATS vision is to enable people and goods to have the convenience of on-demand point-to-point travel, anywhere, anytime for both personal and business travel. This vision can be obtained by expanding near all-weather access to more than 3,400 small community airports that are currently under-utilized throughout the United States. SATS has focused its efforts on four key operating capabilities that have addressed new emerging technologies, procedures, and concepts to pave the way for small aircraft to operate in nearly all weather conditions at virtually any runway in the United States. These four key operating capabilities are: Higher Volume Operations at Non-Towered/Non-Radar Airports, En Route Procedures and Systems for Integrated Fleet Operations, Lower Landing Minimums at Minimally Equipped Landing Facilities, and Increased Single Pilot Performance. The SATS project culminated with the 2005 SATS Public Demonstration in Danville, Virginia on June 5th-7th, by showcasing the accomplishments achieved throughout the project and demonstrating that a small aircraft transportation system could be viable. The technologies, procedures, and concepts were successfully demonstrated to show that they were safe, effective, and affordable for small aircraft in near all weather conditions. The focus of this paper is to provide an overview of the technical and operational feasibility of the four operating capabilities, and explain how they can enable a small aircraft transportation system.

Viken, Sally A.↗

Imaginary time correlations and the phaseless auxiliary field quantum Monte Carlo

The phaseless Auxiliary Field Quantum Monte Carlo (AFQMC) method provides a well established approximation scheme for accurate calculations of ground state energies of many-fermions systems. Here we address the possibility of calculating imaginary time correlation functions with the phaseless AFQMC. We give a detailed description of the technique and test the quality of the results for static properties and imaginary time correlation functions against exact values for small systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Small Unmanned Aircraft Systems Integration into the National Airspace System Visual-Line-of-Sight Human-in-the-Loop Experiment

As part of the Unmanned Aircraft Systems (UAS) in the National Airspace System (NAS) project, research on integrating small UAS (sUAS) into the NAS was underway by a human-systems integration (HSI) team at the NASA Langley Research Center. Minimal to no research has been conducted on the safe, effective, and efficient manner in which to integrate these aircraft into the NAS. sUAS are defined as aircraft weighing 55 pounds or less. The objective of this human system integration team was to build a UAS Ground Control Station (GCS) and to develop a research test-bed and database that provides data, proof of concept, and human factors guidelines for GCS operations in the NAS. The objectives of this experiment were to evaluate the effectiveness and safety of flying sUAS in Class D and Class G airspace utilizing manual control inputs and voice radio communications between the pilot, mission control, and air traffic control. The design of the experiment included three sets of GCS display configurations, in addition to a hand-held control unit. The three different display configurations were VLOS, VLOS + Primary Flight Display (PFD), and VLOS + PFD + Moving Map (Map). Test subject pilots had better situation awareness of their vehicle position, altitude, airspeed, location over the ground, and mission track using the Map display configuration. This configuration allowed the pilots to complete the mission objectives with less workload, at the expense of having better situation awareness of other aircraft. The subjects were better able to see other aircraft when using the VLOS display configuration. However, their mission performance, as well as their ability to aviate and navigate, was reduced compared to runs that included the PFD and Map displays.

Trujillo, Anna C.↗

Formal Modeling and Analysis of a Preliminary Small Aircraft Transportation System (SATS)Concept

New concepts for automating air traffic management functions at small non-towered airports raise serious safety issues associated with the software implementations and their underlying key algorithms. The criticality of such software systems necessitates that strong guarantees of the safety be developed for them. In this paper we present a formal method for modeling and verifying such systems using the PVS theorem proving system. The method is demonstrated on a preliminary concept of operation for the Small Aircraft Transportation System (SATS) project at NASA Langley.

Carrreno, Victor A.↗

Evaluation of Small Mass Spectrometer Systems

This work is aimed at understanding the aspects of designing a miniature mass spectrometer (MS) system. A multitude of commercial and government sectors, such as the military, environmental agencies and industrial manufacturers of semiconductors, refrigerants, and petroleum products, would find a small, portable, rugged and reliable MS system beneficial. Several types of small MS systems are evaluated and discussed, including linear quadrupole, quadrupole ion trap, time of flight and sector. The performance of each system in terms of accuracy, precision, limits of detection, response time, recovery time, scan rate, volume and weight is assessed. A performance scale is setup to rank each systems and an overall performance score is given to each system. All experiments involved the analysis of hydrogen, helium, oxygen and argon in a nitrogen background with the concentrations of the components of interest ranging from 0-5000 part-per-million (ppm). The relative accuracies of the systems vary from < 1% to approx. 40% with an average below 10%. Relative precisions varied from 1% to 20%, with an average below 5%. The detection limits had a large distribution, ranging from 0.2 to 170 ppm. The systems had a diverse response time ranging from 4 s to 210 s as did the recovery time with a 6 s to 210 s distribution. Most instruments had scan times near, 1 s, however one instrument exceeded 13 s. System weights varied from 9 to 52 kg and sizes from 15 x 10(exp 3)cu cm to 110 x 10(exp 3) cu cm.

Arkin, C. Richard↗

Small Unmanned Aerial System (UAS) Flight Testing of Enabling Vehicle Technologies for the UAS Traffic Management Project

Small unmanned aerial systems (sUAS) have been studied and results indicate that there is a large array of highly-beneficial applications. These applications are too numerous to list, but include search and rescue, fire spotting, precision agriculture, etc. to name a few. Typically sUAS vehicles weigh less than 55 pounds and will be performing flight operations in the presence of manned aircraft and other sUAS. Certain sUAS applications, such as package delivery, will include operations in the close proximity of the general public. The full benefit from sUAS is contingent upon the resolution of several technological areas to enable free and widespread use of these vehicles. Technological areas in question include, but are not limited to: autonomous sense and avoid and deconfliction of sUAS from other sUAS and manned aircraft, communications and interfaces between the vehicle and human operators, and high-reliability autonomous systems. The NASA UAS Traffic Management (UTM) project is endeavoring to develop a traffic management system and concept of operations for these types of vehicles. An extensive sUAS flight test effort was performed to partially address vehicle-related technological areas and to shape an understanding of future developmental and test efforts for vehicles intended to use the UTM traffic management system. The flight testing described herein had the following objectives: 1) Install and test Dedicated Short Range Communications (DSRC) systems developed for the automotive industry for potential sense and avoid sUAS applications; 2) Evaluate the use of cellular 4G systems to provide vehicle control; 3) Obtain high-resolution video imagery in support of image-based optical detection sense and avoid systems; 4) Acquire data in fixed-wing flight to support validation and maturation of an autonomous range containment system known as Safeguard in fixed-wing flight. A total of 53 flights were performed over 12 operational days at Beaver Dam Airpark in Elberon, VA. This work was sponsored by the UTM project that is part of the Aviation Operations and Safety Program (AOSP) at NASA.

Glaab, Louis J.↗

Scaling up the transcorrelated density matrix renormalization group

Explicitly correlated methods, such as the transcorrelated method which shifts a Jastrow or Gutzwiller correlator from the wave function to the Hamiltonian, are designed for high-accuracy calculations of electronic structures, but their application to larger systems has been hampered by the computational cost. We develop improved techniques for the transcorrelated density-matrix renormalization group (DMRG), in which the ground state of the transcorrelated Hamiltonian is represented as a matrix product state (MPS), and demonstrate large-scale calculations of the ground-state energy of the two-dimensional Fermi-Hubbard model. Our developments stem from three technical inventions: (i) constructing matrix product operators (MPOs) of transcorrelated Hamiltonians with low bond dimension and high sparsity, (ii) exploiting the entanglement structure of the ground states to increase the accuracy of the MPS representation, and (iii) optimizing the nonlinear parameter of the Gutzwiller correlator to mitigate the nonvariational nature of the transcorrelated method. Here, we examine systems of size up to 12×12 lattice sites, four times larger than previous transcorrelated DMRG studies, and demonstrate that transcorrelated DMRG yields significant improvements over standard nontranscorrelated DMRG for equivalent computational effort. Transcorrelated DMRG reduces the error of the ground-state energy by 2.4×–14×, with the smallest improvement seen for a small system at half filling and the largest improvement in a dilute closed-shell system.

Density matrix renormalization group↗

Rapid hydrogen gas generation using reactive thermal decomposition of uranium hydride.

Oxygen gas injection has been studied as one method for rapidly generating hydrogen gas from a uranium hydride storage system. Small scale reactors, 2.9 g UH{sub 3}, were used to study the process experimentally. Complimentary numerical simulations were used to better characterize and understand the strongly coupled chemical and thermal transport processes controlling hydrogen gas liberation. The results indicate that UH{sub 3} and O{sub 2} are sufficiently reactive to enable a well designed system to release gram quantities of hydrogen in {approx} 2 seconds over a broad temperature range. The major system-design challenge appears to be heat management. In addition to the oxidation tests, H/D isotope exchange experiments were performed. The rate limiting step in the overall gas-to-particle exchange process was found to be hydrogen diffusion in the {approx}0.5 {mu}m hydride particles. The experiments generated a set of high quality experimental data; from which effective intra-particle diffusion coefficients can be inferred.

08 HYDROGEN↗

Ab initio infrared and Raman spectra

It is pointed out that with increased computer power and improved computational techniques, such as the gradients developed in recent years, it is becoming practical to compute spectra ab initio, from the fundamental constants of nature, for systems of increasing complexity. The present investigation has the objective to explore several possible ab initio approaches to spectra, giving particular attention to infrared and nonresonance Raman. Two approaches are discussed. The sequential approach, in which first the electronic part and then later the nuclear part of the Born-Oppenheimer approximation is solved, is appropriate for small systems. The simultaneous approach, in which the electronic and nuclear parts are solved at the same time, is more appropriate for many-atom systems. A review of the newer quantum gradient techniques is provided, and the infrared and Raman spectral band contours for the water molecule are computed.

Fredkin, D. R.↗

Conversion-Integration of MSFC Nonlinear Signal Diagnostic Analysis Algorithms for Realtime Execution of MSFC's MPP Prototype System

NASA's advanced propulsion system Small Scale Magnetic Disturbances/Advanced Technology Development (SSME/ATD) has been undergoing extensive flight certification and developmental testing, which involves large numbers of health monitoring measurements. To enhance engine safety and reliability, detailed analysis and evaluation of the measurement signals are mandatory to assess its dynamic characteristics and operational condition. Efficient and reliable signal detection techniques will reduce the risk of catastrophic system failures and expedite the evaluation of both flight and ground test data, and thereby reduce launch turn-around time. During the development of SSME, ASRI participated in the research and development of several advanced non- linear signal diagnostic methods for health monitoring and failure prediction in turbomachinery components. However, due to the intensive computational requirement associated with such advanced analysis tasks, current SSME dynamic data analysis and diagnostic evaluation is performed off-line following flight or ground test with a typical diagnostic turnaround time of one to two days. The objective of MSFC's MPP Prototype System is to eliminate such 'diagnostic lag time' by achieving signal processing and analysis in real-time. Such an on-line diagnostic system can provide sufficient lead time to initiate corrective action and also to enable efficient scheduling of inspection, maintenance and repair activities. The major objective of this project was to convert and implement a number of advanced nonlinear diagnostic DSP algorithms in a format consistent with that required for integration into the Vanderbilt Multigraph Architecture (MGA) Model Based Programming environment. This effort will allow the real-time execution of these algorithms using the MSFC MPP Prototype System. ASRI has completed the software conversion and integration of a sequence of nonlinear signal analysis techniques specified in the SOW for real-time execution on MSFC's MPP Prototype. This report documents and summarizes the results of the contract tasks; provides the complete computer source code; including all FORTRAN/C Utilities; and all other utilities/supporting software libraries that are required for operation.

Jong, Jen-Yi↗

Machine learning predictions for local electronic properties of disordered correlated electron systems

We present a scalable machine learning (ML) model to predict local electronic properties such as on-site electron number and double occupation for disordered correlated electron systems. Our approach is based on the locality principle, or the nearsightedness nature, of many-electron systems, which means local electronic properties depend mainly on the immediate environment. A ML model is developed to encode this complex dependence of local quantities on the neighborhood. We demonstrate our approach using the square-lattice Anderson-Hubbard model, which is a paradigmatic system for studying the interplay between Mott transition and Anderson localization. We develop a lattice descriptor based on the group-theoretical method to represent the on-site random potentials within a finite region. The resultant feature variables are used as input to a multilayer fully connected neural network, which is trained from data sets of variational Monte Carlo (VMC) simulations on small systems. We show that the ML predictions agree reasonably well with the VMC data. Our work underscores the promising potential of ML methods for multiscale modeling of correlated electron systems.

36 MATERIALS SCIENCE↗

The MV model of the color glass condensate for a finite number of sources including Coulomb interactions

We modify the McLerran–Venugopalan model to include only a finite number of sources of color charge. In the effective action for such a system of a finite number of sources, there is a point-like interaction and a Coulombic interaction. The point interaction generates the standard fluctuation term in the McLerran–Venugopalan model. The Coulomb interaction generates the charge screening originating from well known evolution in x. Such a model may be useful for computing angular harmonics of flow measured in high energy hadron collisions for small systems. In this study we provide a basic formulation of the problem on a lattice.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Non-resonant multipactor-A statistical model

High power microwave systems operating in vacuum or near vacuum run the risk of multipactor breakdown. In order to avoid multipactor, it is necessary to make theoretical predictions of critical parameter combinations. These treatments are generally based on the assumption of electrons moving in resonance with the electric field while traversing the gap between critical surfaces. Through comparison with experiments, it has been found that only for small system dimensions will the resonant approach give correct predictions. Apparently, the resonance is destroyed due to the statistical spread in electron emission velocity, and for a more valid description it is necessary to resort to rather complicated statistical treatments of the electron population, and extensive simulations. However, in the limit where resonance is completely destroyed it is possible to use a much simpler treatment, here called non-resonant theory. In this paper, we develop the formalism for this theory, use it to calculate universal curves for the existence of multipactor, and compare with previous results. Two important effects that leads to an increase in the multipactor threshold in comparison with the resonant prediction are identified. These are the statistical spread of impact speed, which leads to a lower average electron impact speed, and the impact of electrons in phase regions where the secondary electrons are immediately reabsorbed, leading to an effective removal of electrons from the discharge.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Lattice Monte Carlo for quantum Hall states on a torus

The Monte Carlo method is very useful for studying various model states proposed for the fractional quantum Hall systems. In this paper, we introduce a lattice Monte Carlo method based on an exact lattice formalism for quantum Hall problems defined on a torus. This “lattice representation” is applied to study the many body Berry phase of the composite-Fermi liquid phase in a half-filled Landau level. Here, the Monte Carlo result agrees with the exact numerical result found on small systems sizes and is consistent with the prediction from the Dirac fermion low-energy effective theory. Many other aspects of other model states, including the structure factor, Coulomb energy and particle-hole symmetry, are studied and discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Statistical analysis of the modal properties of large structural systems.

A theory is developed to predict eigenvalue and eigenvector uncertainty in large dynamic models. The uncertainty is based on physical property uncertainty and should not be confused with numerical roundoff, although the method can be extended to include the latter. The theory, when implemented on a computer, is used to analyze the uncertainties in frequencies and mode shapes based on uncertainties in mass, stiffness, modulus of elasticity, etc. The method incorporates a linear statistical model which is quite adequate for handling property uncertainties of 10% or more. The model is not limited to small systems but uses certain statistical assumptions as well as selective matrix manipulations to keep the size of all matrix operations to within the number of degrees of freedom of the system. Examples are given for two longitudinal vibration problems, and the results are supported by a Monte Carlo analysis.

Collins, J. D.↗