Developing and evaluating approaches for direct geologic disposal of commercial spent nuclear fuel (SNF) in dual-purpose canisters (DPCs) is a cross-cutting multi-disciplinary activity that is directly tied to the implementation of DPCs by the nuclear industry. The ultimate goal of the DPC direct disposal R&D program is to facilitate and maximize safe, cost-effective, licensed direct disposal. Independent Technical Review (ITR) is needed to maximize the impact of the R&D program on future implementation. The review will involve a team of experts representing the nuclear industry, repository sciences, and licensing. The team will be charged to review a set of representative technical reports and other information, and answer a set of questions that focus on R&D steering.
Macroscopic simulations of dense plasmas rely on detailed microscopic information that can be computationally expensive and is difficult to verify experimentally. In this work, we delineate the accuracy boundary between microscale simulation methods by comparing Kohn-Sham density functional theory molecular dynamics (KS-MD) and radial pair potential molecular dynamics (RPP-MD) for a range of elements, temperature, and density. By extracting the optimal RPP from KS-MD data using force matching, we constrain its functional form and dismiss classes of potentials that assume a constant power law for small interparticle distances. Our results show excellent agreement between RPP-MD and KS-MD for multiple metrics of accuracy at temperatures of only a few electron volts. The use of RPPs offers orders of magnitude decrease in computational cost and indicates that three-body potentials are not required beyond temperatures of a few eV. Due to its efficiency, the validated RPP-MD provides an avenue for reducing errors due to finite-size effects that can be on the order of ∼ 20 %.
Broderick, Robert J.; Reno, Matthew J.; Lave, Matthew S.; Azzolini, Joseph A.; Blakely, Logan; Galtieri, Jason; Mather, Barry; Weekley, Andrew; Hunsberger, Randolph; Chamana, Manohar; Li, Qinmiao; Zhang, Wenqi; Latif, Aadil; Zhu, Xiangqi; Grijalva, Santiago; Zhang, Xiaochen; Deboever, Jeremiah; Qureshi, Muhammad U.; Therrien, Francis; Lacroix, Jean-Sebastien; Li, Feng; Belletete, Marc; Hebert, Guillaume; Montenegro, Davis; Dugan, Roger
The rapid increase in penetration of distributed energy resources on the electric power distribution system has created a need for more comprehensive interconnection modeling and impact analysis. Unlike conventional scenario-based studies, quasi-static time-series (QSTS) simulations can realistically model time-dependent voltage controllers and the diversity of potential impacts that can occur at different times of year. However, to accurately model a distribution system with all its controllable devices, a yearlong simulation at 1-second resolution is often required, which could take conventional computers a computational time of 10 to 120 hours when an actual unbalanced distribution feeder is modeled. This computational burden is a clear limitation to the adoption of QSTS simulations in interconnection studies and for determining optimal control solutions for utility operations. The solutions we developed include accurate and computationally efficient QSTS methods that could be implemented in existing open-source and commercial software used by utilities and the development of methods to create high-resolution proxy data sets. This project demonstrated multiple pathways for speeding up the QSTS computation using new and innovative methods for advanced time-series analysis, faster power flow solvers, parallel processing of power flow solutions and circuit reduction. The target performance level for this project was achieved with year-long high-resolution time series solutions run in less than 5 minutes within an acceptable error.
Accurate and efficient constitutive modeling remains a cornerstone issue for solid mechanics analysis. Over the years, the LAMÉ advanced material model library has grown to address this challenge by implementing models capable of describing material systems spanning soft polymers to stiff ceramics including both isotropic and anisotropic responses. Inelastic behaviors including (visco)plasticity, damage, and fracture have all incorporated for use in various analyses. This multitude of options and flexibility, however, comes at the cost of many capabilities, features, and responses and the ensuing complexity in the resulting implementation. Therefore, to enhance confidence and enable the utilization of the LAMÉ library in application, this effort seeks to document and verify the various models in the LAMÉ library. Specifically, the broader strategy, organization, and interface of the library itself is first presented. The physical theory, numerical implementation, and user guide for a large set of models is then discussed. Importantly, a number of verification tests are performed with each model to not only have confidence in the model itself but also highlight some important response characteristics and features that may be of interest to end-users. Finally, in looking ahead to the future, approaches to add material models to this library and further expand the capabilities are presented
While studies of urban acoustics are typically restricted to the audio range, anthropogenic activity also generates infrasound (<20 Hz, roughly at the lower end of the range of human hearing). Shutdowns related to the COVID-19 pandemic unintentionally created ideal conditions for the study of urban infrasound and low frequency audio (20-500 Hz), as closures reduced human-generated ambient noise, while natural signals remained relatively unaffected. An array of infrasound sensors deployed in Las Vegas, NV, provides data for a case study in monitoring human activity during the pandemic through urban acoustics. The array records a sharp decline in acoustic power following the temporary shutdown of businesses deemed nonessential by the state of Nevada. This decline varies spatially across the array, with stations close to McCarran International Airport generally recording the greatest declines in acoustic power. Further, declines in acoustic power fluctuate with the time of day. As only signals associated with anthropogenic activity are expected to decline, this gives a rough indication of periodicities in urban acoustics throughout Las Vegas. The results of this study reflect the city's response to the pandemic and suggest spatiotemporal trends in acoustics outside of shutdowns.
Narrowband and broadband low frequency magnetic field sensors have applications in EMI/EMC measurements and atmospheric and space research. This report gives analytical development of such sensors.
The explosion of both sensors and GPS-enabled devices has resulted in position/time data being the next big frontier for data analytics. However, many of the problems associated with large numbers of trajectories do not necessarily have an analog with many of the historic big-data applications such as text and image analysis. Modern trajectory analytics exploits much of the cutting-edge research in machine-learning, statistics, computational geometry and other disciplines. We will show that for doing trajectory analytics at scale, it is necessary to fundamentally change the way the information is represented through a feature-vector approach. We then demonstrate the ability to solve large trajectory analytics problems using this representation.
The objective of the Photovoltaic Collaborative to Advance Multi-climate and Performance Research (PVCAMPER) is to: 1) Build and maintain a multi-climate research platform to enable pioneering photovoltaic research; 2) Validate the performance of emerging technologies in specific climates; 3) Help accelerate the world’s transition to a solar-intensive economy. Our focus in achieving those goals is to foster collaborative research and to build an international organization dedicated to improving data quality, minimizing measurement uncertainty and exchanging best practices related to PV performance.
Three M-MOF-74 (M = Co, Mg, Ni) metal-organic framework (MOF) thin film membranes have been synthesized through a sensor functionalization method for the direct electrical detection of NO2. The two-step surface functionalization procedure on the glass/Pt interdigitated electrodes resulted in a terminal carboxylate group, with both steps confirmed through infrared spectroscopic analysis. This surface functionalization allowed the MOF materials to grow largely in a uniform manner over the surface of the electrode forming a thin film membrane over the Pt sensing elec-trodes. The growth of each membrane was confirmed through scanning electron microscopy (SEM) and X-ray diffraction analysis. The Ni and Mg MOFs grew as a continuous but non-defect free membrane with overlapping polycrystallites across the glass surface, whereas the Co-MOF-74 grew dis-continuously. To demonstrate the use of these MOF membranes as an NO2 gas sensor, Ni-MOF-74 was chosen as it was consistently fabricated as the best thin and homogenous membrane, as confirmed by SEM. The membrane was exposed to 5 ppm NO2 and the impedance magnitude was observed to decrease 123× in 4 h, with a larger change in impedance and a faster response than the bulk material. Importantly, the use of these membranes as a sensor for NO2 does not require them to be defect-free, but solely continuous and overlapping growth.
The “how to” document guides the user through complicated aspects of software usage. It should supplement both the User’s manual and the Theory document, by providing examples and detailed discussion that reduce learning time for complex set ups. These documents are intended to be used together. We will not formally list all parameters for an input here – see the User’s manual for this. All the examples in the “How To” document are part of the Sierra/SD test suite, and each will run with no modification. The nature of this document casts together a number of rather unrelated procedures. Grouping them is difficult. Please try to use the table of contents and the index as a guide in finding the analyses of interest.