Chiller: Contention-centric Transaction Execution and Data Partitioning for Modern Networks
Not provided.
Computer Science↗
SEARCH · Engineering Papers
Results for “Modernization”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
The Academic Tree of Howard V. Malmstadt: From Early Scientific Exploration to Modern Analytical Chemistry
Over the last several decades, science has benefited tremendously by the implementation of digital electronic components for analytical instrumentation. A pioneer in this area of scientific inquiry was Howard Malmstadt. Frequently, such revolutions in scientific history can be viewed as a series of discoveries without a great deal of attention as to how mentorship shapes the careers and methodologies of those who made great strides forward for science. Here, this article focuses on the verifiable relationships of those who are connected through the academic tree of Malmstadt and how their experiences and the context of world events influenced their scientific pursuits. Particular attention is dedicated to the development of American chemistry departments and the critical role played by many of the individuals in the tree in this process.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Performance of explicit and IMEX MRI multirate methods on complex reactive flow problems within modern parallel adaptive structured grid frameworks
Large-scale multiphysics simulations are computationally challenging due to the coupling of multiple processes with widely disparate time scales. The advent of exascale computing systems exacerbates these challenges since these systems enable ever-increasing size and complexity. In recent years, there has been renewed interest in developing multirate methods as a means to handle the large range of time scales, as these methods may afford greater accuracy and efficiency than more traditional approaches of using implicit-explicit (IMEX) and low-order operator splitting schemes. However, to date there have been few performance studies that compare different classes of multirate integrators on complex application problems. In this work, we study the performance of several newly developed multirate infinitesimal (MRI) methods, implemented in the SUNDIALS solver package, on two reacting flow model problems built on structured mesh frameworks. The first model revisits prior work on a compressible reacting flow problem with complex chemistry that is implemented using BoxLib but where we now include comparisons between a new explicit MRI scheme with the multirate spectral deferred correction (SDC) methods in the original paper. The second problem uses the same complex chemistry as the first problem, combined with a simplified flow model, but runs at a large spatial scale where explicit methods become infeasible due to stability constraints. Two recently developed IMEX MRI multirate methods are tested. These methods rely on advanced features of the AMReX framework on which the model is built, such as multilevel grids and multilevel preconditioners. The results from these two problems show that MRI multirate methods can offer significant performance benefits on complex multiphysics application problems and that these methods may be combined with advanced spatial discretization to compound the advantages of both.
97 MATHEMATICS AND COMPUTING↗
The effect of transient needle lift on the internal flow and near-nozzle spray characteristics for modern GDI systems investigated by high-speed X-ray imaging
The development of the injector nozzle is a dynamic area in regard of several technical aspects. At first, the internal flow influences the near-field spray characteristics via various phenomena such as cavitation and turbulence. However, these phenomena are not fully understood due to their extremely fast, complex and multiscale nature. Furthermore, it governs the spray targeting inside the combustion chamber. High-speed X-ray imaging of GDI injector nozzles is performed in this study. The experimental results presented are related to the internal flow and primary breakup of discharged liquid jets. The injectors used are equipped with nozzles made of aluminum which have been specially developed for these investigations to enhance optical accessibility. The visualization of the needle motion, in-nozzle flow and the primary breakup region provides several exciting observations. First, the needle lift tracking exhibits short overshooting right before the steady-state of the injection phase. Additionally, this event leads to a short-term, however, significant change in the associated performance of the breakup. This phenomenon is found to be a consequence of the transient behavior of the in-nozzle flow. It is shown that under some circumstances hydraulic flip may occur during this overshooting period. The primary jet breakup region is visualized and evaluated by means of image processing. Thus, the transient behavior of liquid jet expansion is quantified in the vicinity of the nozzle. It is observed that the liquid jet direction deviates from the hole axis already at the nozzle outlet, which is caused by internal flow characteristics.
42 ENGINEERING↗
Open chemistry: RESTful web APIs, JSON, NWChem and the modern web application
Not Available
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
TRANSFORM – A Vision for Modern Advanced Reactor System-Level Modeling and Simulation Using Modelica
Explore the source record for details and available documents.
Greenwood, Scott↗
Impact of Coal Mine Water on Modern Gas Well Cements
Presented by NETL at 2016 Unconventional Resources Technology Conference (URTeC), 8/16
Gardiner, James↗
Nanoparticle self-assemblies with modern complexity
Thanks to decades of tireless efforts, nanoparticle assemblies have reached at an extremely high level of controllability, sophistication, and complexity, with new insights provided by integration with graph theory, cutting-edge characterization, and machine learning (ML)-based computation and modeling, as well as with ever-diversifying applications in energy, catalysis, biomedicine, optics, electronics, magnetics, organic biosynthesis, and quantum technology. Nanoparticle assemblies can be crystalline, known as superlattices or supracrystals. Their assembly entails a transition from disorder—dispersed nanoparticles—to order, which can be achieved through classical nucleation pathways or nonclassical pathways via prenucleation precursors or particle aggregation. Further, the periodic lattices allow facile manipulations of electrons, phonons, photons, and even spins, leading to advanced device components and metamaterials. Meanwhile, aperiodic assemblies out of nanoparticles, such as gels, networks, and amorphous solids, also start to attract attentions. Despite the loss of periodicity, symmetry-lowering or symmetry-breaking three-dimensional (3D) structures emerge with unique properties, such as chiroptical activity, topological mechanical strength, and quantum entanglement. Real-space imaging such as electron microscopy and X-ray based tomography methods are utilized to characterize these complex structures, while mathematical tools such as graph theories are in need to describe such complex structures. This issue aims to provide a timely review of the efforts in this greatly broadened materials design space including experiment, simulation, theory, and applications. Nine top experts (and their teams) from four countries deliver six review papers, summarizing fundamental mechanistic understandings of nanoparticle assemblies, highlighted with the developments of state-of-the-art in situ characterization tools and ML-assisted reverse engineering, and newly emergent applications of nanoarchitectures.
36 MATERIALS SCIENCE↗
Challenges and Opportunities in Turning Large U.S. Archives of Analog Seismograms into a Modern Usable Resource
Abstract Quantitative seismology is based firmly on the analysis of actual ground motions, and the transition to digital recording in the 1980s enabled sophisticated new capabilities to extract useful results from waveforms. With some effort, these tools can also be applied to analog records. Focusing on assets available within U.S. institutions, we review the necessary steps and the challenges in enabling “data rescue”—that is, preserving the scientific information latent in large analog seismogram archives and making it usable. They include: determining what assets are available (the analog seismogram archives held by various institutions, with associated metadata on instrument responses, station locations, and timing information); developing a consensus on the top level of a triage process (which analog records most definitely should be rescued?); deciding the level of quality needed in copying original seismograms to media suitable for digitizing; assessing the relative merits of scanning and digitizing; and, the need for a community service in distributing scans and digital records, as they accumulate. The necessary level of effort can benefit from practical experience. For example, specific studies have used digitized versions of analog recordings to model earthquake sources and assess seismic hazard. Other studies have used them to gain experience with nuclear explosion signals recorded at regional distances, noting that regional signals enable explosions to be monitored down to levels much lower than those attainable teleseismically. The opportunities presented by large archives of analog seismograms include the insights they present to current and future seismologists studying earthquakes and explosions, into the practical areas of assessing seismic hazard, monitoring for test ban compliance down to low explosion yields—and prompt characterization of actual explosions should they occur, as well the traditional academic pursuit of a better understanding of earthquake physics.
Geochemistry & Geophysics↗
Re-Envisioning RCx: Achieving Max Potential HVAC Controls Retrofits through Modernized BAS Hardware and Software
Most existing buildings have sub-optimal heating, ventilation, and air conditioning (HVAC) controls, resulting in wasted energy and occupant discomfort. Retro-commissioning (RCx) addresses many of these issues, but it is a lengthy and highly customized process. Limited capabilities of existing building automation system hardware restricts the scope of most RCx projects. Incentive programs consider building automation system (BAS) hardware retrofits to be high-capital investments and do not allow them in typical RCx programs. This paper describes work that the authors are leading to facilitate technical and market innovation in the BAS industry to unlock large savings in existing commercial buildings through deep retrofits of BAS hardware and software. California and New York research projects are demonstrating BAS retrofits leveraging the American Society of Heating, Refrigeration, and Air Conditioning Engineers’ (ASHRAE) new Guideline 36 high performance sequences of operation to achieve greater than 20 percent whole building energy savings, while saving costs and reducing risk through streamlined processes and standardization across BAS manufacturer product lines and across implementation practices. This paper describes market barriers that impede achieving deep savings from BAS retrofits in custom incentive and traditional RCx programs and presents a new maximum potential BAS retrofit model that addresses these barriers. The new model leverages the authors’ efforts in market enablement through open standards, BAS industry partnerships, and tools for cost-effective scaling that includes tools for project screening, savings calculations, and measurement and verification (M&V). This approach is widely applicable and will be ready for at-scale implementation within two years.
Paliaga, Gwelen↗
Pauling’s rules for oxide-based minerals: A re-examination based on quantum mechanical constraints and modern applications of bond-valence theory to Earth materials
Since their introduction in 1929, Pauling’s five rules have been used by scientists from many disciplines to rationalize and predict stable arrangements of atoms and coordination polyhedra in crystalline solids; amorphous materials such as silicate glasses and melts; nanomaterials, poorly crystalline solids; aqueous cation and anion complexes; and sorption complexes at mineral-aqueous solution interfaces. The predictive power of these simple yet powerful rules was challenged recently by George et al. (2020), who performed a statistical analysis of the performance of Pauling’s five rules for about 5000 oxide crystal structures. They concluded that only 13% of the oxides satisfy the last four rules simultaneously and that the second rule has the most exceptions. They also found that Pauling’s first rule is satisfied for only 66% of the coordination environments tested and concluded that no simple rule linking ionic radius to coordination environment will be predictive due to the variable quality of univalent radii. We address these concerns and discuss quantum mechanical calculations that complement Pauling’s rules, particularly his first (radius sum and radius ratio rule) and second (electrostatic valence rule) rules. We also present a more realistic view of the bonded radii of atoms, derived by determining the local minimum in the electron density distribution measured along trajectories between bonded atoms known as bond paths, i.e., the bond critical point (rc). Electron density at the bond critical point is a quantum mechanical observable that correlates well with Pauling bond strength. Moreover, a metal atom in a polyhedron has as many bonded radii as it has bonded interactions, resulting in metal and O atoms that may not be spherical. O atoms, for example, are not spherical in many oxide-based crystal structures. Instead, the electron density of a bonded oxygen is often highly distorted or polarized, with its bonded radius decreasing systematically from ~1.38 Å when bonded to highly electropositive atoms like sodium to 0.64 Å when bonded to highly electronegative atoms like nitrogen. Bonded radii determined for metal atoms match the Shannon (1976) radii for more electropositive atoms, but the match decreases systematically as the electronegativities of the M atoms increase. As a result, significant departures from the radius ratio rule in the analysis by George et al. (2020) is not surprising. We offer a modified, more fundamental version of Pauling’s first rule and demonstrate that the second rule has a one-to-one connection between the electron density accumulated between the bonded atoms at the bond critical point and the Pauling bond strength of the bonded interaction. Pauling’s second rule implicitly assumes that bond strength is invariant with bond length for a given pair of bonded atoms. Many studies have since shown that this is not the case, and Brown and Shannon (1973) developed an equation and a set of parameters to describe the relation between bond length and bond strength, now redefined as bond valence to avoid confusion with Pauling bond-strength. Brown (1980) used the valence-sum rule, together with the path rule and the valence-matching principle, as the three axioms of bond-valence theory (BVT), a powerful method for understanding many otherwise elusive aspects of crystals and also their participation in dynamic processes. We show how a priori bond-valence calculations can predict unstrained bond-lengths and how bond-valence mapping can locate low-Z atoms in a crystal structure (e.g., Li) or examine possible diffusion pathways for atoms through crystal structures. In addition, we briefly discuss Pauling’s third, fourth, and fifth rules, the first two of which concern the sharing of polyhedron elements (edges and faces) and the common instability associated with structures in which a polyhedron shares an edge or face with another polyhedron and contains high-valence cations. The olivine [α-(MgxFe1–x)2SiO4] crystal structure is used to illustrate the distortions from hexagonal close-packing of O atoms caused by metal-metal repulsion across shared polyhedron edges. We conclude by discussing several applications of BVT to Earth materials, including the use of BVT to: (1) locate H+ ions in crystal structures, including the location of protons in the crystal structures of nominally anhydrous minerals in Earth’s mantle; (2) determine how strongly bonded (usually anionic) structural units interact with weakly bonded (usually cationic) interstitial complexes in complex uranyl-oxide and uranyl-oxysalt minerals using the valence-matching principle; (3) calculate Lewis acid strengths of cations and Lewis base strengths of anions; (4) determine how (H2O) groups can function as bond-valence transformers by dividing one bond into two bonds of half the bond valence; (5) help characterize products of sorption reactions of aqueous cations (e.g., Co2+ and Pb2+) and oxyanions [e.g., selenate (Se6+O4)2- and selenite (Se4+O3)2-] at mineral-aqueous solution interfaces and the important role of protons in these reactions; and (6) help characterize the local coordination environments of highly charged cations (e.g., Zr4+, Ti4+, U4+, U5+, and U6+) in silicate glasses and melts.
Geochemistry & Geophysics↗
Stop and Restart Effects on Modern Vehicle Starting System Components
Many drivers of personal and commercial vehicles believe that turning the vehicle off and on frequently instead of idling will cause premature wear of the starter system (starter motor and starter battery). As a result, they are concerned that the replacement cost of the starter motor and/or battery due to increased manual engine cycling would be more than the cumulative cost of the fuel saved by not idling unnecessarily. A number of variables play a role in addressing this complex concern, including the number of starting cycles per day, the time between starting cycles, the intended design life of the starting system, the amount of fuel used to restart an engine, and the cumulative cost of the saved fuel. Qualitative and quantitative information from a variety of sources was used to develop a life-cycle economic model to evaluate the cost and quantify the realistic factors that are related to the permissible frequency of starter motor cycles for the average vehicle to economically minimize engine idle time. Annual cost savings can be calculated depending on shutdown duration and the number of shutdown cycles per day. Analysis shows that cost savings are realized by eliminating idling exceeding one minute by shutting down the engine and restarting it. For a typical motorist, the damage to starting system components resulting from additional daily start cycles will be negligible. Overall, it was found that starter life is mostly dependent on the total number of start cycles, while battery life is more dependent on ensuring a full charge between start events.
42 ENGINEERING↗
Foundational Report Series: Advanced Distribution Management Systems for Grid Modernization
This report describes the application functions for distribution management systems (DMS). The application functions are those surveyed by the IEEE Power and Energy Society’s Task Force on Distribution Management Systems. The description of each DMS application includes functional requirements and the key features and characteristics in current and future deployments, as well as a summary of the major benefits provided by each function to stakeholders — from customers to shareholders. Due consideration is paid to the fact that the realizable benefits of each function may differ by type of utility, whether investor-owned, cooperative, or municipal. This report is sufficient to define the functional requirements of each application for system procurement (request-for-proposal [RFP]) purposes and for developing preliminary high-level use cases for those functions. However, it should not be considered a design document that will enable a vendor or software developer to design and build actual DMS applications.
Wang, Jianhui↗
Foundational Report Series: Advanced Distribution Management Systems for Grid Modernization, High-Level Use Cases for DMS
Many distribution management systems (DMS) projects have achieved limited success because the electric utility did not sufficiently plan for actual use of the DMS functions in the control room environment. As a result, end users were not clear on how to use the new application software in actual production environments with existing, well-established business processes. An important first step in the DMS implementation process is development and refinement of the “to be” business processes. Development of use cases for the required DMS application functions is a key activity that leads to the formulation of the “to be” requirements. It is also an important activity that is needed to develop specifications that are used to procure a new DMS.
24 POWER TRANSMISSION AND DISTRIBUTION↗
Sensing and Measurement Architecture for Grid Modernization
This paper addresses architecture for grid sensor networks, with primary emphasis on distribution grids. It describes a forward-looking view of sensor network architecture for advanced distribution grids, and discusses key regulatory, financial, and planning issues.
24 POWER TRANSMISSION AND DISTRIBUTION↗
An S N Algorithm for Modern Architectures
LANL discrete ordinates transport packages are required to perform large, computationally intensive time-dependent calculations on massively parallel architectures, where even a single such calculation may need many months to complete. While KBA methods scale out well to very large numbers of compute nodes, we are limited by practical constraints on the number of such nodes we can actually apply to any given calculation. Instead, we describe a modified KBA algorithm that allows realization of the reductions in solution time offered by both the current, and future, architectural changes within a compute node.
97 MATHEMATICS AND COMPUTING↗
Foundational Report Series: Advanced Distribution Management Systems for Grid Modernization, Business Case Calculations for DMS
Distribution Management System (DMS) applications require a substantial commitment of technical and financial resources. In order to proceed beyond limited-scale demonstration projects, utilities must have a clear understanding of the business case for committing these resources that recognizes the total cost of ownership. Many of the benefits provided by investments in DMSs do not translate easily into monetary terms, making cost-benefit calculations difficult. For example, Fault Location Isolation and Service Restoration (FLISR) can significantly reduce customer outage duration and improve reliability. However, there is no well-established and universally-accepted procedure for converting these benefits into monetary terms that can be compared directly to investment costs. This report presents a methodology to analyze the benefits and costs of DMS applications as fundamental to the business case.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
Foundational Report Series: Advanced Distribution Management Systems for Grid Modernization, Implementation Strategy for a Distribution Management System
Electric distribution utilities encounter many challenges to successful deployment of Distribution Management Systems (DMSs). The key challenges are documented in this report, along with suggestions for overcoming them. This report offers a recommended list of activities for implementing a DMS. It takes a strategic approach to implementing DMS from a project management perspective. The project management strategy covers DMS planning, procurement, design, building, testing, Installation, commissioning, and system integration issues and solutions. It identifies the risks that are associated with implementation and suggests strategies for utilities to use to mitigate them or avoid them altogether. Attention is given to common barriers to successful DMS implementation. This report begins with an overview of the implementation strategy for a DMS and proceeds to put forward a basic approach for procuring hardware and software for a DMS; designing the interfaces with external corporate computing systems such as EMS, GIS, OMS, and AMI; and implementing a complete solution.
24 POWER TRANSMISSION AND DISTRIBUTION↗