Publications

Software sustainability is critical for Computational Science and Engineering (CSE) software. Measuring sustainability is challenging because sustainability consists of many attributes. One factor that impacts software sustainability is the complexity of the source code. This paper introduces an approach for utilizing complexity data, with a focus on hotspots of and changes in complexity, to assist developers in performing code reviews and inform project teams about longer-term changes in sustainability and maintainability from the perspective of cyclomatic complexity. We present an analysis of data associated with four real-world pull requests to demonstrate how the metrics may help guide and inform the code review process and how the data can be used to measure changes in complexity over time.

Centered on modern C++ and the SYCL standard for heterogeneous programming, Data Parallel C++ (dpc++) and Intel's oneAPI software ecosystem aim to lower the barrier to entry for the use of accelerators like FPGAs in diverse applications. In this work, we consider the usage of FPGAs for scientific computing, in particular with a multigrid solver, MueLu. We report on early experiences implementing kernels of the solver in DPC++ for execution on Stratix 10 FPGAs, and we evaluate several algorithmic design and implementation choices. These choices not only impact performance, but also shed light on the capabilities and limitations of DPC++ and oneAPI.

Dynamical systems subject to intermittent contact are often modeled with piecewise-smooth contact forces. However, the discontinuous nature of the contact can cause inaccuracies in numerical results or failure in numerical solvers. Representing the piecewise contact force with a continuous and smooth function can mitigate these problems, but not all continuous representations may be appropriate for this use. In this work, five representations used by previous researchers (polynomial, rational polynomial, hyperbolic tangent, arctangent, and logarithm-arctangent functions) are studied to determine which ones most accurately capture nonlinear behaviors including super- and subharmonic resonances, multiple solutions, and chaos. The test case is a single-DOF forced Duffing oscillator with freeplay nonlinearity, solved using direct time integration. This work intends to expand on past studies by determining the limits of applicability for each representation and what numerical problems may occur.

Integrating recent advancements in resilient algorithms and techniques into existing codes is a singular challenge in fault tolerance - in part due to the underlying complexity of implementing resilience in the first place, but also due to the difficulty introduced when integrating the functionality of a standalone new strategy with the preexisting resilience layers of an application. We propose that the answer is not to build integrated solutions for users, but runtimes designed to integrate into a larger comprehensive resilience system and thereby enable the necessary jump to multi-layered recovery. Our work designs, implements, and verifies one such comprehensive system of runtimes. Utilizing Fenix, a process resilience tool with integration into preexisting resilience systems as a design priority, we update Kokkos Resilience and the use pattern of VeloC to support application-level integration of resilience runtimes. Our work shows that designing integrable systems rather than integrated systems allows for user-designed optimization and upgrading of resilience techniques while maintaining the simplicity and performance of all-in-one resilience solutions. More application-specific choice in resilience strategies allows for better long-term flexibility, performance, and - importantly - simplicity.

Unpredictable disturbances with dynamic trajectories such as extreme weather events and cyber attacks require adaptive, cyber-physical special protection schemes to mitigate cascading impact in the electric grid. A harmonized automatic relay mitigation of nefarious intentional events (HARMONIE) special protection scheme (SPS) is being developed to address that need. However, for evaluating the HARMONIE-SPS performance in classifying system disturbances and mitigating consequences, a cyber-physical testbed is required to further development and validate the methodology. In this paper, we present a design for a co-simulation testbed leveraging the SCEPTRE™ platform and the real-time digital simulator (RTDS). The integration of these two platforms is detailed, as well as the unique, specific needs for testing HARMONIE-SPS within the environment. Results are presented from tests involving a WSCC 9-bus system with different load shedding scenarios with varying cyber-physical impact.

To keep pace with the demand for innovation through scientific computing, modern scientific software development is increasingly reliant upon a rich and diverse ecosystem of software libraries and toolchains. Research software engineers (RSEs) responsible for that infrastructure perform highly integrative work, acting as a bridge between the hardware, the needs of researchers, and the software layers situated between them; relatively little, however, has been written about the role played by RSEs in that work and what support they need to thrive. To that end, we present a two-part report on the development of half-precision floating point support in the Kokkos Ecosystem. Half-precision computation is a promising strategy for increasing performance in numerical computing and is particularly attractive for emerging application areas (e.g., machine learning), but developing practicable, portable, and user-friendly abstractions is a nontrivial task. In the first half of the paper, we conduct an engineering study on the technical implementation of the Kokkos half-precision scalar feature and showcase experimental results; in the second half, we offer an experience report on the challenges and lessons learned during feature development by the first author. We hope our study provides a holistic view on scientific library development and surfaces opportunities for future studies into effective strategies for RSEs engaged in such work.

Abstract not provided.

This paper reports on Catalyst usability and initial adoption by SPARC analysts. The use case approach highlights the analysts' perspective. Impediments to adoption can be due to deficiencies in software capabilities, or analysts may identify mundane inconveniences and barriers that prevent them from fully leveraging Catalyst. With that said, for many analyst tasks Catalyst provides enough relative advantage that they have begun applying it in their production work, and they recognize the potential for it to solve problems they currently struggle with. The findings in this report include specific issues and minor bugs in ParaView Python scripting, which are viewed as having straightforward solutions, as well as a broader adoption analysis.

Abstract not provided.

The precise estimation of performance loss rate (PLR) of photovoltaic (PV) systems is vital for reducing investment risks and increasing the bankability of the technology. Until recently, the PLR of fielded PV systems was mainly estimated through the extraction of a linear trend from a time series of performance indicators. However, operating PV systems exhibit failures and performance losses that cause variability in the performance and may bias the PLR results obtained from linear trend techniques. Change-point (CP) methods were thus introduced to identify nonlinear trend changes and behaviour. The aim of this work is to perform a comparative analysis among different CP techniques for estimating the annual PLR of eleven grid-connected PV systems installed in Cyprus. Outdoor field measurements over an 8-year period (June 2006-June 2014) were used for the analysis. The obtained results when applying different CP algorithms to the performance ratio time series (aggregated into monthly blocks) demonstrated that the extracted trend may not always be linear but sometimes can exhibit nonlinearities. The application of different CP methods resulted to PLR values that differ by up to 0.85% per year (for the same number of CPs/segments).

Simple but mission-critical internet-based applications that require extremely high reliability, availability, and verifiability (e.g., auditability) could benefit from running on robust public programmable blockchain platforms such as Ethereum. Unfortunately, program code running on such blockchains is normally publicly viewable, rendering these platforms unsuitable for applications requiring strict privacy of application code, data, and results. In this work, we investigate using MPC techniques to protect the privacy of a blockchain computation. While our main goal is to hide both the data and the computed function itself, we also consider the standard MPC setting where the function is public. We describe GABLE (Garbled Autonomous Bots Leveraging Ethereum), a blockchain MPC architecture and system. The GABLE architecture specifies the roles and capabilities of the players. GABLE includes two approaches for implementing MPC over blockchain: Garbled Circuits (GC), evaluating universal circuits, and Garbled Finite State Automata (GFSA). We formally model and prove the security of GABLE implemented over garbling schemes, a popular abstraction of GC and GFSA from (Bellare et al., CCS 2012). We analyze in detail the performance (including Ethereum gas costs) of both approaches and discuss the trade-offs. We implement a simple prototype of GABLE and report on the implementation issues and experience.

Morphing wings have great potential to dramatically improve the efficiency of future generations of aircraft and to reduce noise and emissions. Among many camber morphing wing concepts, shape changing fingerlike mechanisms consist of components, such as torsion bars, bushings, bearings, and joints, all of which exhibit damping and stiffness nonlinearities that are dependent on excitation amplitude. These nonlinearities make the dynamic response difficult to model accurately with traditional simulation approaches. As a result, at high excitation levels, linear finite element models may be inaccurate, and a nonlinear modeling approach is required to capture the necessary physics. This work seeks to better understand the influence of nonlinearity on the effective damping and natural frequency of the morphing wing through the use of quasi-static modal analysis and model reduction techniques that employ multipoint constraints (i.e., spider elements). With over 500,000 elements and 39 frictional contact surfaces, this represents one of the most complicated models to which these methods have been applied to date. The results to date are summarized and lessons learned are highlighted.

In accident scenarios involving release of tritium during handling and storage, the level of risk to human health is dominated by the extent to which radioactive tritium is oxidized to the water form (T2O or THO). At some facilities, tritium inventories consist of very small quantities stored at sub-atmospheric pressure, which means that tritium release accident scenarios will likely produce concentrations in air that are well below the lower flammability limit. It is known that isotope effects on reaction rates should result in slower oxidation rates for heavier isotopes of hydrogen, but this effect has not previously been quantified for oxidation at concentrations well below the lower flammability limit for hydrogen. This work describes hydrogen isotope oxidation measurements in an atmospheric tube furnace reactor. These measurements consist of five concentration levels between 0.01% and 1% protium or deuterium and two residence times. Oxidation is observed to occur between about 550°C and 800°C, with higher levels of conversion achieved at lower temperatures for protium with respect to deuterium at the same volumetric inlet concentration and residence time. Computational fluid dynamics simulations of the experiments were used to customize reaction orders and Arrhenius parameters in a 1-step oxidation mechanism. The trends in the rates for protium and deuterium are extrapolated based on guidance from literature to produce kinetic rate parameters appropriate for tritium oxidation at low concentrations.

The installation of digital sensors, such as advanced meter infrastructure (AMI) meters, has provided the means to implement a wide variety of techniques to increase visibility into the distribution system, including the ability to calibrate the utility models using data-driven algorithms. One challenge in maintaining accurate and up-to-date distribution system models is identifying changes and event occurrences that happen during the year, such as customers who have changed phases due to maintenance or other events. This work proposes a method for the detection of phase change events that utilizes techniques from an existing phase identification algorithm. This work utilizes an ensemble step to obtain predicted phases for windows of data, therefore allowing the predicted phase of customers to be observed over time. The proposed algorithm was tested on four utility datasets as well as a synthetic dataset. The synthetic tests showed the algorithm was capable of accurately detecting true phase change events while limiting the number of false-positive events flagged. In addition, the algorithm was able to identify possible phase change events on two real datasets.

We have extended the computational singular perturbation (CSP) method to differential algebraic equation (DAE) systems and demonstrated its application in a heterogeneous-catalysis problem. The extended method obtains the CSP basis vectors for DAEs from a reduced Jacobian matrix that takes the algebraic constraints into account. We use a canonical problem in heterogeneous catalysis, the transient continuous stirred tank reactor (T-CSTR), for illustration. The T-CSTR problem is modelled fundamentally as an ordinary differential equation (ODE) system, but it can be transformed to a DAE system if one approximates typically fast surface processes using algebraic constraints for the surface species. We demonstrate the application of CSP analysis for both ODE and DAE constructions of a T-CSTR problem, illustrating the dynamical response of the system in each case. We also highlight the utility of the analysis in commenting on the quality of any particular DAE approximation built using the quasi-steady state approximation (QSSA), relative to the ODE reference case.

Abstract not provided.

As transistors have been scaled over the past decade, modern systems have become increasingly susceptible to faults. Increased transistor densities and lower capacitances make a particle strike more likely to cause an upset. At the same time, complex computer systems are increasingly integrated into safety-critical systems such as autonomous vehicles. These two trends make the study of system reliability and fault tolerance essential for modern systems. To analyze and improve system reliability early in the design process, new tools are needed for RTL fault analysis.This paper proposes Eris, a novel framework to identify vulnerable components in hardware designs through fault-injection and fault propagation tracking. Eris builds on ESSENT - a fast C/C++ RTL simulation framework - to provide fault injection, fault tracking, and control-flow deviation detection capabilities for RTL designs. To demonstrate Eris' capabilities, we analyze the reliability of the open source Rocket Chip SoC by randomly injecting faults during thousands of runs on four microbenchmarks. As part of this analysis we measure the sensitivity of different hardware structures to faults based on the likelihood of a random fault causing silent data corruption, unrecoverable data errors, program crashes, and program hangs. We detect control flow deviations and determine whether or not they are benign. Additionally, using Eris' novel fault-tracking capabilities we are able to find 78% more vulnerable components in the same number of simulations compared to RTL-based fault injection techniques without these capabilities. We will release Eris as an open-source tool to aid future research into processor reliability and hardening.

Scalable coherent control hardware for quantum information platforms is rapidly growing in priority as their number of available qubits continues to increase. As these systems scale, more calibration steps are needed, leading to challenges with system instability as calibrated parameters drift. Moreover, the sheer amount of data required to run circuits with large depth tends to balloon, especially when implementing state-of-the-art dynamical-decoupling gates which require advanced modulation techniques. We present a control system that addresses these challenges for trapped-ion systems, through a combination of novel features that eliminate the need for manual bookkeeping, reduction in data transfer bandwidth requirements via gate compression schemes, and other automated error handling techniques. Moreover, we describe an embedded pulse compiler that applies staged optimization, including compressed intermediate representations of parsed output products, performs in-situ mutation of compressed gate data to support high-level algorithmic feedback to account for drift, and can be run entirely on chip.

The penetration of renewable energy resources (RER) and energy storage systems (ESS) into the power grid has been accelerated in recent times due to the aggressive emission and RER penetration targets. The Integrated resource planning (IRP) framework can help in ensuring long-term resource adequacy while satisfying RER integration and emission reduction targets in a cost-effective and reliable manner. In this paper, we present pIRP (probabilistic Integrated Resource Planning), an open-source Python-based software tool designed for optimal portfolio planning for an RER and ESS rich future grid and for addressing the capacity expansion problem. The tool, which is planned to be released publicly, with its ESS and RER modeling capabilities along with enhanced uncertainty handling make it one of the more advanced non-commercial IRP tools available currently. Additionally, the tool is equipped with an intuitive graphical user interface and expansive plotting capabilities. Impacts of uncertainties in the system are captured using Monte Carlo simulations and lets the users analyze hundreds of scenarios with detailed scenario reports. A linear programming based architecture is adopted which ensures sufficiently fast solution time while considering hundreds of scenarios and characterizing profile risks with varying levels of RER and ESS penetration levels. Results for a test case using data from parts of the Eastern Interconnection are provided in this paper to demonstrate the capabilities offered by the tool.

Abstract not provided.

Quantum computers can now run interesting programs, but each processor’s capability—the set of programs that it can run successfully—is limited by hardware errors. These errors can be complicated, making it difficult to accurately predict a processor’s capability. Benchmarks can be used to measure capability directly, but current benchmarks have limited flexibility and scale poorly to many-qubit processors. We show how to construct scalable, efficiently verifiable benchmarks based on any program by using a technique that we call circuit mirroring. With it, we construct two flexible, scalable volumetric benchmarks based on randomized and periodically ordered programs. We use these benchmarks to map out the capabilities of twelve publicly available processors, and to measure the impact of program structure on each one. We find that standard error metrics are poor predictors of whether a program will run successfully on today’s hardware, and that current processors vary widely in their sensitivity to program structure.

This work investigates both avalanche behavior and failure mechanism of 3 kV GaN-on-GaN vertical P-N diodes, that were fabricated and later tested under unclamped inductive switching (UIS) stress. The goal of this study is to use the particular avalanche characteristics and the failure mechanism to identify issues with the field termination and then provide feedback to improve the device design. DC breakdown is measured at the different temperatures to confirm the avalanche breakdown. Diode's avalanche robustness is measured on-wafer using a UIS test set-up which was integrated with a wafer chuck and CCD camera. Post failure analysis of the diode is done using SEM and optical microscopy to gain insight into the device failure physics.

Metal additive manufacturing allows for the fabrication of parts at the point of use as well as the manufacture of parts with complex geometries that would be difficult to manufacture via conventional methods (milling, casting, etc.). Additively manufactured parts are likely to contain internal defects due to the melt pool, powder material, and laser velocity conditions when printing. Two different types of defects were present in the CT scans of printed AlSi10Mg dogbones: spherical porosity and irregular porosity. Identification of these pores via a machine learning approach (i.e., support vector machines, convolutional neural networks, k-nearest neighbors’ classifiers) could be helpful with part qualification and inspections. The machine learning approach will aim to label the regions of porosity and label the type of porosity present. The results showed that a combination approach of Canny edge detection and a classification-based machine learning model (k-nearest neighbors or support vector machine) outperformed the convolutional neural network in segmenting and labeling different types of porosity.

Creation of streaming video stimuli that allow for strict experimental control while providing ease of scene manipulation is difficult to achieve but desired by researchers seeking to approach ecological validity in contexts that involve processing streaming visual information. To that end, we propose leveraging video game modding tools as a method of creating research quality stimuli. As a pilot effort, we used a video game sandbox tool (Garry’s Mod) to create three steaming video scenarios designed to mimic video feeds that physical security personnel might observe. All scenarios required participants to identify the presences of a threat appearing during the video feed. Each scenario differed in level of complexity, in that one scenario required only location monitoring, one required location and action monitoring, and one required location, action, and conjunction monitoring in that when an action was performed it was only considered a threat when performed by a certain character model. While there was no behavioral effect of scenario in terms of accuracy or response times, in all scenarios we found evidence of a P300 when comparing response to threatening stimuli to that of standard stimuli. Results therefore indicate that sufficient levels of experimental control may be achieved to allow for the precise timing required for ERP analysis. Thus, we demonstrate the feasibility of using existing modding tools to create video scenarios amenable to neuroimaging analysis.

The latest high temperature (HT) microcontrollers and memory technology have been investigated for the purpose of enhancing downhole instrumentation capabilities at temperatures above 210°C. As part of the effort, five microcontrollers (Honeywell HT83C51, RelChip RC10001, Texas Instruments SM470R1B1M-HT, SM320F2812-HT, SM320F28335-HT) and one memory chip (RelChip RC2110836) have been evaluated to its rated temperature for a period of one month to determine life expectancy and performance. Pulse rate of the integrated circuit and internal memory scan were performed during testing by remotely located axillary components. This paper will describe challenges encountered in the operation and HT testing of these components. Long-term HT tests results show the variation in power consumption and packaging degradation. The work described in this paper improves downhole instrumentation by enabling greater sensor counts and improving data accuracy and transfer rates at temperatures between 210°C and 300°C.