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At least 577 records · Page 32

A high-precision instrument for analyzing nonlinear dynamic behavior of bearing cage

The high-precision ball bearing is fundamental to the performance of complex mechanical systems. As the speed increases, the cage behavior becomes a key factor in influencing the bearing performance, especially life and reliability. This paper develops a high-precision instrument for analyzing nonlinear dynamic behavior of the bearing cage. The trajectory of the rotational center and non-repetitive run-out (NRRO) of the cage are used to evaluate the instability of cage motion. This instrument applied an aerostatic spindle to support and spin test the bearing to decrease the influence of system error. Then, a high-speed camera is used to capture images when the bearing works at high speeds. A 3D trajectory tracking software TEMA Motion is used to track the spot which marked the cage surface. Finally, by developing the MATLAB program, a Lissajous’ figure was used to evaluate the nonlinear dynamic behavior of the cage with different speeds. The trajectory of rotational center and NRRO of the cage with various speeds are analyzed. The results can be used to predict the initial failure and optimize cage structural parameters. In addition, the repeatability precision of instrument is also validated. In the future, the motorized spindle will be applied to increase testing speed and image processing algorithms will be developed to analyze the trajectory of the cage.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Feasibility of Hybrid Electro- and Acousto-Dynamical Systems for Quantum Optical Networks

We present results on an exploratory research program that aims to study the feasibility of novel, sustained, dense, and efficient quantum information generation, storage, retrieval, relay and distribution devices and systems towards future advanced quantum networking architectures. The pathfinder program is anchored on original ideas and device conceptual designs that turn the phononic-sourced challenges into an opportunity towards optimized transduction chains over a broad range of length and energy/temperature scales. The proposal involves conceptual design and feasibility towards integration, commissioning and benchmarking of challenging transduction devices in a scaled quantum network setup.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DeePMD-kit v2: A software package for deep potential models

DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used in the fields of physics, chemistry, biology, and material science for studying atomistic systems. The current version of DeePMD-kit offers numerous advanced features, such as DeepPot-SE, attention-based and hybrid descriptors, the ability to fit tensile properties, type embedding, model deviation, DP-range correction, DP long range, graphics processing unit support for customized operators, model compression, non-von Neumann molecular dynamics, and improved usability, including documentation, compiled binary packages, graphical user interfaces, and application programming interfaces. This article presents an overview of the current major version of the DeePMD-kit package, highlighting its features and technical details. Additionally, this article presents a comprehensive procedure for conducting molecular dynamics as a representative application, benchmarks the accuracy and efficiency of different models, and discusses ongoing developments.

97 MATHEMATICS AND COMPUTING↗

IN2 Profile: Polyceed Electrochromic Window Technology Expected to Lower Energy Costs

Through the Wells Fargo Innovation Incubator (IN²) program, Polyceed will validate their electrochromic window technology. The technology is expected to provide customers with 75% lower cost than conventional dynamic windows and offer small residences $200 a year of cost savings for energy consumption. The IN² program launched in October 2014 and is part of Wells Fargo’s 2020 Environmental Commitment to provide $100 million to environmentally-focused nonprofits and universities. The goal is to create an ecosystem that fosters and accelerates the commercialization of promising commercial buildings technologies that can provide scalable solutions to reduce the energy impact of buildings. According to the Department of Energy, nearly 40 percent of energy consumption in the U.S. today comes from buildings at an estimated cost of $413 billion.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Oxygen vacancy dynamics in monoclinic metallic VO 2 domain structures

It was demonstrated recently that the nano-optical and nanoelectronic properties of VO 2 can be spatially programmed through the local injection of oxygen vacancies by atomic force microscope writing. In this work, we study the dynamic evolution of the patterned domain structures as a function of the oxygen vacancy concentration and the time. A threshold doping level is identified that is critical for both the metal–insulator transition and the defect stabilization. The diffusion of oxygen vacancies in the monoclinic phase is also characterized, which is directly responsible for the short lifetimes of sub-100 nm domain structures. This information is imperative for the development of oxide nanoelectronics through defect manipulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

User-Assisted Store Recycling for Dynamic Task Graph Schedulers

The emergence of the multi-core era has led to increased interest in designing effective yet practical parallel programming models. Models based on task graphs that operate on single-assignment data are attractive in several ways: they can support dynamic applications and precisely represent the available concurrency. However, they also require nuanced algorithms for scheduling and memory management for efficient execution. In this paper, we consider memory-efficient dynamic scheduling of task graphs. Specifically, we present a novel approach for dynamically recycling the memory locations assigned to data items as they are produced by tasks. We develop algorithms to identify memory-efficient store recycling functions by systematically evaluating the validity of a set of (user-provided or automatically generated) alternatives. Because recycling function can be input data-dependent, we have also developed support for continued correct execution of a task graph in the presence of a potentially incorrect store recycling function. Experimental evaluation demonstrates that our approach to automatic store recycling incurs little to no overheads, achieves memory usage comparable to the best manually derived solutions, often produces recycling functions valid across problem sizes and input parameters, and efficiently recovers from an incorrect choice of store recycling functions.

97 MATHEMATICS AND COMPUTING↗

Tri-Level Linear Programming Model for Automatic Load Shedding Using Spectral Clustering

Traditional load shedding schemes can be inadequate in grids with high renewable penetration, leading to unstable events and unnecessary grid islanding. Although for both manual and automatic operating modes load shedding areas have been predefined by grid operators, they have remained fixed, and may be sub-optimal due to dynamic operating conditions. In this work, a distributed tri-level linear programming model for automatic load shedding to avoid system islanding is presented. Preventing islanding is preferred because it reduces the need for additional load shedding besides the disconnection of transmission lines between islands. This is crucial as maintaining the local generation-demand balance is necessary to preserve frequency stability. Furthermore, uneven distribution of generation resources among islands can lead to increased load shedding, causing economic and reliability challenges. This issue is further compounded in modern power systems heavily dependent on non-dispatchable resources like wind and solar. The upper-level model uses complex power flow measurements to determine the system areas to shed load depending on actual operating conditions using a spectral clustering approach. The mid-level model estimates the area system state, while the lower-level model determines the locations and load values to be shed. The solution is practical and promising for real-world applications.

Baquedano-Aguilar, Mario D.↗

HYBRID Modeling of DETAIL Experimental Facility

Idaho National Laboratory continues to be at the forefront of advanced reactor systems and integrated energy systems research. Through the Thermal Energy Distribution System (TEDS) and Microreactor Agile Non-nuclear Test Bed (MAGNET) experiments in the Dynamic Energy Transport and Innovation Laboratory (DETAIL) within the Engineering Systems Laboratory, a mix of digital and physical testing systems can explore the operation of thermally and electrically integrated systems. Modeling of these systems has been done using the HYBRID modeling repository of the Integrated Energy Systems program. DETAIL also contains high temperature steam electrolysis (HTSE) units to produce hydrogen and generate the load imposed on MAGNET and TEDS. The dynamic modeling capabilities within the IES program describe the DETAIL components as-built and can be used to evaluate controls, process flows, and overall system conditions.

08 HYDROGEN↗

Implementing Ordinary Differential Equation Solvers in Rust Programming Language for Modeling Vehicle Powertrain Systems: Preprint

Efficient and accurate ordinary differential equation (ODE) solvers are necessary for powertrain and vehicle dynamics modeling. However, current commercial ODE solvers can be financially prohibitive, leading to a need for accessible, effective, open-source ODE solvers designed for powertrain modeling. Rust is a compiled programming language that has the potential to be used for fast and easy-to-use powertrain models, given its exceptional computational performance, robust package ecosystem, and short time required for modelers to become proficient. However, of the three commonly used (>3,000 downloads) packages in Rust with ODE solver capabilities, only one has more than four numerical methods implemented, and none are designed specifically for modeling physical systems. Therefore, the goal of the Differential Equation System Solver (DESS) was to implement accurate ODE solvers in Rust designed for the component-based problems often seen in powertrain modeling. DESS is a text-based software package that provides a flexible framework for building and solving systems of ODEs. This allows DESS to be included as a dependency for automotive powertrain models that require a variety of solvers and solver configurations. Seven explicit ODE solver methods have been implemented in DESS: Euler’s, Heun’s, midpoint, Ralston’s, classic Runge-Kutta, Bogacki-Shampine, and Cash-Karp. These represent five fixed-step methods and two adaptive-step methods. This paper shows that the solver implementations increase accuracy and computational efficiency compared to Euler's method when modeling a system of three thermal masses in Rust. DESS also includes features designed for modeling component-based physical systems. Users can define relationships between nodes in their system, which the package then translates into a system of equations, leading to simpler and more intuitive code. In the case of a three-thermal-mass system, the user can specify node thermal properties (e.g., thermal capacitance), how nodes are interconnected, and thermal conductance between nodes rather than providing a system of equations. The core contribution from this work is an open-source, text-based Rust package with ODE solvers for automotive powertrain modeling to support cost-free, fast, and accurate simulation.

ADVANCED PROPULSION SYSTEMS↗

FemtoMAX – an X-ray beamline for structural dynamics at the short-pulse facility of MAX IV

The FemtoMAX beamline facilitates studies of the structural dynamics of materials. Such studies are of fundamental importance for key scientific problems related to programming materials using light, enabling new storage media and new manufacturing techniques, obtaining sustainable energy by mimicking photosynthesis, and gleaning insights into chemical and biological functional dynamics. The FemtoMAX beamline utilizes the MAX IV linear accelerator as an electron source. The photon bursts have a pulse length of 100 fs, which is on the timescale of molecular vibrations, and have wavelengths matching interatomic distances (Å). The uniqueness of the beamline has called for special beamline components. This paper presents the beamline design including ultrasensitive X-ray beam-position monitors based on thin Ce:YAG screens, efficient harmonic separators and novel timing tools.

laser↗

Hoobas: A highly object-oriented builder for molecular dynamics

Polydispersity and random sequences are ubiquitous features of polymers, and molecular dynamics simulations can help elucidate the impact of disorder in polymer systems. However, currently available packages for building polymer topologies do not enable the user to include randomness in a straightforward fashion. Here, we introduce Hoobas, a molecular builder package that easily handles polydispersity using a prototype-builder design pattern. This enables fast and easy building of systems comprised of thousands of distinct objects. It is written in the Python programming language, which ensures compatibility with a wide range of molecular dynamics packages and tools, as well as easy integration into most workflows.

97 MATHEMATICS AND COMPUTING↗

E-PVT: enhanced position-velocity-time scheduler for computer-controlled optical finishing with comprehensive considerations of dynamics constraints, continuity and efficiency

Deterministic computer-controlled optical finishing is an essential approach for achieving high-quality optical surfaces. Its determinism and convergence rely heavily on precise and smooth motion control to guide the machine tool over an optical surface to correct residual errors. One widely supported and smooth motion control model is position-velocity-time (PVT), which employs piecewise cubic polynomials to describe positions. Our prior research introduced a PVT-based velocity scheduling method, demonstrating sub-nanometer level convergence in ion beam figuring (IBF) processes. However, three challenges remained. Firstly, this method relies on quadratic programming, resulting in computational intensiveness for dense tool paths. Secondly, the dynamics constraints and velocity and acceleration continuities are not comprehensively considered, limiting the full potential of PVT-based control. Thirdly, no compensation mechanism existed when dynamics constraints are exceeded. In this study, in response to these challenges, we proposed the Enhanced PVT (E-PVT) method, reducing the time complexity from O ( n 3 ) to O ( n ) while fully addressing dynamics constraints and continuities. A novel compensation method utilizing particle swarm optimization was proposed to address situations where dynamics constraints might be exceeded while maintaining the overall processing efficiency. Validation through simulation and experimentation confirmed the improved performance of E-PVT.

36 MATERIALS SCIENCE↗

Snowmass2021 Cosmic Frontier White Paper: Cosmological Simulations for Dark Matter Physics

Over the past several decades, unexpected astronomical discoveries have been fueling a new wave of particle model building and are inspiring the next generation of ever-more-sophisticated simulations to reveal the nature of Dark Matter (DM). This coincides with the advent of new observing facilities coming online, including JWST, the Rubin Observatory, the Nancy Grace Roman Space Telescope, and CMB-S4. The time is now to build a novel simulation program to interpret observations so that we can identify novel signatures of DM microphysics across a large dynamic range of length scales and cosmic time. This white paper identifies the key elements that are needed for such a simulation program. We identify areas of growth on both the particle theory side as well as the simulation algorithm and implementation side, so that we can robustly simulate the cosmic evolution of DM for well-motivated models. We recommend that simulations include a fully calibrated and well-tested treatment of baryonic physics, and that outputs should connect with observations in the space of observables. We identify the tools and methods currently available to make predictions and the path forward for building more of these tools. A strong cosmic DM simulation program is key to translating cosmological observations to robust constraints on DM fundamental physics, and provides a connection to lab-based probes of DM physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Work Smarter, Not Harder: Improving Energy Efficiency and Safety through Smarter Ventilation: Preprint

Ventilation is a key component to maintaining healthy, safe indoor air quality. Especially important in laboratories, ventilation is the first line of defense against airborne hazards produced during research activities. Though a vital component, laboratory ventilation systems are often victim to ineffective operation, posing a risk to the most important asset - the researchers. Furthermore, system inefficiencies can lead to up to 50% wasted energy. To improve both energy efficiency and safety in laboratories, we present the Smart Labs Toolkit - a resource developed by the U.S. Department of Energy Federal Energy Management Program and the International Institute for Sustainable Laboratories that guides laboratory stakeholders through a straight-forward, holistic approach to achieve dynamic, high-performance laboratories. Smart Labs enable safe and efficient world class science to occur in laboratories through high-performance methods. A Smart Labs program employs a combination of physical, administrative, and management techniques to assess, optimize, and manage high performance laboratories. We will focus on a central component of the Smart Labs approach - the Laboratory Ventilation Risk Assessment, a systematic process for identifying risk due to airborne hazards to inform the operation of dynamic ventilation that optimizes safety and efficiency. Case studies of organizations who have successfully implemented Smart Labs ventilation management programs will also be shared. In learning ventilation strategies successful in critical laboratory environments, learn the tools and resources needed to successfully manage energy in any building through smarter, safer ventilation.

buildings↗

A compute-bound formulation of Galerkin model reduction for linear time-invariant dynamical systems

This work aims to advance computational methods for projection-based reduced-order models (ROMs) of linear time-invariant (LTI) dynamical systems. For such systems, current practice relies on ROM formulations expressing the state as a rank-1 tensor (i.e., a vector), leading to computational kernels that are memory bandwidth bound and, therefore, ill-suited for scalable performance on modern architectures. This weakness can be particularly limiting when tackling many-query studies, where one needs to run a large number of simulations. This work introduces a reformulation, called rank-2 Galerkin, of the Galerkin ROM for LTI dynamical systems which converts the nature of the ROM problem from memory bandwidth to compute bound. We present the details of the formulation and its implementation, and demonstrate its utility through numerical experiments using, as a test case, the simulation of elastic seismic shear waves in an axisymmetric domain. We quantify and analyze performance and scaling results for varying numbers of threads and problem sizes. In conclusion, we present an end-to-end demonstration of using the rank-2 Galerkin ROM for a Monte Carlo sampling study. We show that the rank-2 Galerkin ROM is one order of magnitude more efficient than the rank-1 Galerkin ROM (the current practice) and about 970 times more efficient than the full-order model, while maintaining accuracy in both the mean and statistics of the field.

97 MATHEMATICS AND COMPUTING↗

Numerical Model Development of a Variable-Geometry Attenuator Wave Energy Converter

Because the wave energy industry is still in its infancy, an optimal design for wave energy converters (WECs) has yet to be established; more work is needed to explore various cost-reduction pathways. The primary cost-reduction pathway considered for this work is the optimization of the geometric profile on an attenuator WEC to maximize power production while, at the same time, minimizing capital expenditures through the use of variable-geometry modules. In this investigation, the variable-geometry modules consist of inflatable bags placed on either side of a base central steel cylinder that would be inflated in low-moderate sea states to maximize power capture and then deflated in moderate-extreme sea states to minimize wave loading. The numerical model and simulation of the attenuator WEC were developed and completed using WEC-Sim, which is an open-source code that is appropriate for use in evaluating the dynamic response of the different WEC models in operational seas. The power production estimates were obtained from the Wave Energy Prize (WEP) sea states, which are representative of U. S. deployment sites, to calculate the average climate capture width that is used in the WEP ACE calculation. Preliminary capital expenditure costs were obtained assuming the base central steel cylinder mass was equal to the fluid displaced mass, minus the mass of the variable-geometry bags. The additional weight required to offset the additional buoyancy from the variable-geometry bags was assumed to come from the addition of seawater ballast. The variable-geometry attenuator model was found to have a similar power capture efficiency as a fixed-body model, but is expected to have a lower characteristic capital expenditure given its more streamlined profile, which demonstrates that variable-geometry modules may provide a realistic cost-reduction pathway to help design a more cost-competitive WEC.

50 EE - Wind and Water Power Program - Water (EE-4↗

Evaluating and extending user-level fault tolerance in MPI applications

The user-level failure mitigation (ULFM) interface has been proposed to provide fault-tolerant semantics in the Message Passing Interface (MPI). Previous work presented performance evaluations of ULFM; yet questions related to its programability and applicability, especially to non-trivial, bulk synchronous applications, remain unanswered. In this article, we present our experiences on using ULFM in a case study with a large, highly scalable, bulk synchronous molecular dynamics application to shed light on the advantages and difficulties of this interface to program fault-tolerant MPI applications. We found that, although ULFM is suitable for master–worker applications, it provides few benefits for more common bulk synchronous MPI applications. Furthermore, to address these limitations, we introduce a new, simpler fault-tolerant interface for complex, bulk synchronous MPI programs with better applicability and support than ULFM for application-level recovery mechanisms, such as global rollback.

97 MATHEMATICS AND COMPUTING↗

Implementing Superresolution of Nonstationary Tides with Wavelets: An Introduction to CWT_Multi

Abstract Tides are often nonstationary due to nonastronomical influences. Investigating variable tidal properties implies a trade-off between separating adjacent frequencies (using long analysis windows) and resolving their time variations (short analysis windows). Previous continuous wavelet transform (CWT) tidal methods resolved tidal species. Here, we present CWT_Multi, a MATLAB code that 1) uses CWT linearity (via the “response coefficient method”) to implement superresolution, i.e., resolving tidal constituents beyond the Rayleigh criterion; 2) provides a Munk–Hasselmann constituent selection criterion appropriate for superresolution; and 3) introduces an objective, time-variable form of inference (“dynamic inference”) based on time-varying data properties. CWT_Multi resolves tidal species on time scales of days, and multiple constituents per species with fortnightly filters. It outputs astronomical phase lags and admittances, analyzes multiple records, and provides power spectra of the signal(s), residual(s), and reconstruction(s); confidence limits; and signal-to-noise ratios. Artificial data and water levels from the Lower Columbia River Estuary (LCRE) and San Francisco Bay Delta (SFBD) are used to test CWT_Multi and compare it to harmonic analysis programs NS_Tide and UTide. CWT_Multi provides superior reconstruction, detiding, dynamic analysis utility, and time resolution of constituents (but with broader confidence limits). Dynamic inference resolves closely spaced constituents (like K 1 , S 1 , and P 1 ) on fortnightly time scales, quantifying impacts of diel power peaking (with a 24-h period, like S 1 ) on water levels in the LCRE. CWT_Multi also helps quantify the impacts of high flows and a salt barrier closing on tidal properties in the SFBD. On the other hand, CWT_Multi does not excel at prediction, and results depend on analysis details, as for any method applied to nonstationary data. Significance Statement Ocean tides, especially in coastal and estuarine systems, are often nonstationary, in the sense that the mean and standard deviation of tidal properties vary over time, usually in response to some nontidal process. We introduce here a MATLAB code, CWT_Multi, that uses wavelet transforms to resolve both tidal species and constituents on time scales from a few days to months. Our code accommodates multiple scalar time series and has typical tidal analysis features like constituent selection and inference, plus two forms of uncertainty analyses. It is flexible, allowing the user to adapt analysis properties to diverse datasets. CWT_Multi is applicable to many problems involving time-variable tides, including sea level rise, compound flooding, sediment transport, and wetland habitat analyses. Application to vector data is a straightforward extension, but further development of our uncertainty analysis is merited. Because nonstationary tidal analysis is rapidly advancing, we also define the features of a “well-formed” analysis code.

Lobo, Matthew↗