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At least 1,099 records · Page 61

Soils' dirty little secret: Depth–based comparisons can be inadequate for quantifying changes in soil organic carbon and other mineral soil properties

Quantifying changes in soil organic carbon (SOC) stocks and other soil properties is essential for understanding how soils will respond to land management practices and global change. Although they are widely used, comparisons of SOC stocks at fixed depth (FD) intervals are subject to errors when changes in bulk density or soil organic matter occur. The equivalent soil mass (ESM) method has been recommended in lieu of FD for assessing changes in SOC stocks in mineral soils, but ESM remains underutilized for SOC stocks and has rarely been used for other soil properties. In this paper, we draw attention to the limitations of the FD method and demonstrate the advantages of the ESM approach. We provide illustrations to show that the FD approach is susceptible to errors not only for quantifying SOC stocks but also for soil mass-based properties such as SOC mass percent, C:N mass ratio, and δ 13 C. Here we describe the ESM approach and show how it mitigates the FD method limitations. Using bulk density change simulations applied to an empirical dataset from bioenergy cropping systems, we show that the ESM method provides consistently lower errors than FD when quantifying changes in SOC stocks and other soil properties. To simplify the use of ESM, we detail how the method can be integrated into sampling schemes, and we provide an example R computer script that can perform ESM calculations on large datasets. We encourage future studies, whether temporal or comparative, to utilize sampling methods that are amenable to the ESM approach. Overall, we agree with previous recommendations that ESM should be the standard method for evaluating SOC stock changes in mineral soils, but we further suggest that ESM may also be preferred for comparisons of other soil properties including mass percentages, elemental mass ratios, and stable isotope composition.

59 BASIC BIOLOGICAL SCIENCES↗

Computational Design of Gradient Paths in Additively Manufactured Functionally Graded Materials

We report additive manufacturing (AM) has enabled the creation of a near infinite set of functionally graded materials (FGMs). One limitation on the manufacturability and usefulness of these materials is the presence of undesirable phases along the gradient path. For example, such phases may increase brittleness, diminish corrosion resistance, or severely compromise the printability of the part altogether. In the current work, a design methodology is proposed to plan an FGM gradient path for any number of elements that avoids undesirable phases at a range of temperatures. Gradient paths can also be optimized for a cost function. A case study is shown to demonstrate the effectiveness of the methodology in the Fe–Ni–Cr system. Paths were successfully planned from 316 L Stainless Steel (316 L SS) to pure Cr that either minimize path length or maximize separation from undesirable phases. Examinations on the stochastic variability, parameter dependency, and computational efficiency of the method are also presented. Finally, several avenues of future research are proposed that could improve the manufacturability, utility, and performance of FGMs through gradient path design.

36 MATERIALS SCIENCE↗

Calorimetry with deep learning: particle simulation and reconstruction for collider physics

Using detailed simulations of calorimeter showers as training data, we investigate the use of deep learning algorithms for the simulation and reconstruction of single isolated particles produced in high-energy physics collisions. We train neural networks on single-particle shower data at the calorimeter-cell level, and show significant improvements for simulation and reconstruction when using these networks compared to methods which rely on currently-used state-of-the-art algorithms. We define two models: an end-to-end reconstruction network which performs simultaneous particle identification and energy regression of particles when given calorimeter shower data, and a generative network which can provide reasonable modeling of calorimeter showers for different particle types at specified angles and energies. We investigate the optimization of our models with hyperparameter scans. Furthermore, we demonstrate the applicability of the reconstruction model to shower inputs from other detector geometries, specifically ATLAS-like and CMS-like geometries. These networks can serve as fast and computationally light methods for particle shower simulation and reconstruction for current and future experiments at particle colliders.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Current UAS Capabilities for Geospatial Spectral Solutions

Unmanned aerial systems (UAS) are playing an increasingly pivotal role in advancing the remote collection of data. The various datasets collected by these cutting-edge systems provide near-real-time information and help inform end users on everything from disaster recovery efforts to monitoring atmospheric constituents. This chapter focuses on how the collection of imagery has progressed over time, including the pivotal role UAS play in building large-scale datasets driving data analysis. The authors report the findings of a 2018–2021 survey of the fields that use UAS, the UAS platforms most commonly used, and the sensor components users select to outfit their UAS. The chapter will also discuss the range of platforms currently available, with a specific focus on issues including battery life, data downlinks, data processing times, edge computing, and availability of new sensors. The authors will also discuss the future direction of UAS platforms as well as many of the problems associated with the high spatial and temporal resolution of modern geospatial datasets.

Cotten, David↗

Large-Scale Test of Dynamic Correlation Processors: Implications for Correlation-Based Seismic Pipelines

Correlation detectors are of considerable interest to the seismic monitoring communities because they offer reduced detection thresholds and combine detection, location and identification functions into a single operation. They appear to be ideal for applications requiring screening of frequent repeating events. However, questions remain about how broadly empirical correlation methods are applicable. We describe the effectiveness of banks of correlation detectors in a system that combines traditional power detectors with correlation detectors in terms of efficiency, which we define to be the fraction of events detected by the correlators. This paper elaborates and extends the concept of a dynamic correlation detection framework – a system which autonomously creates correlation detectors from event waveforms detected by power detectors; and reports observed performance on a network of arrays in terms of efficiency. We performed a large scale test of dynamic correlation processors on an 11 terabyte global dataset using 25 arrays in the single frequency band 1-3 Hz. The system found over 3.2 million unique signals and produced 459,747 screened detections. A very satisfying result is that, on average, efficiency grows with time and, after nearly 16 years of operation, exceeds 47% for events observed over all distance ranges and approaches 70% for near regional and 90% for local events. This observation suggests that future pipeline architectures should make extensive use of correlation detectors, principally for decluttering observations of local and near-regional events. Our results also suggest that future operations based on correlation detection will require commodity large-scale computing infrastructure, since the numbers of correlators in an autonomous system can grow into the hundreds of thousands.

47 OTHER INSTRUMENTATION↗

EPiC-GAN: Equivariant point cloud generation for particle jets

With the vast data-collecting capabilities of current and future high-energy collider experiments, there is an increasing demand for computationally efficient simulations. Generative machine learning models enable fast event generation, yet so far these approaches are largely constrained to fixed data structures and rigid detector geometries. In this paper, we introduce EPiC-GAN - equivariant point cloud generative adversarial network - which can produce point clouds of variable multiplicity. This flexible framework is based on deep sets and is well suited for simulating sprays of particles called jets. The generator and discriminator utilize multiple EPiC layers with an interpretable global latent vector. Crucially, the EPiC layers do not rely on pairwise information sharing between particles, which leads to a significant speed-up over graph- and transformer-based approaches with more complex relation diagrams. We demonstrate that EPiC-GAN scales well to large particle multiplicities and achieves high generation fidelity on benchmark jet generation tasks.

Buhmann, Erik↗

Compiled MPI: Cost-Effective Exascale Applications Development

The complexity of petascale and exascale machines makes it increasingly difficult to develop applications that can take advantage of them. Future systems are expected to feature billion-way parallelism, complex heterogeneous compute nodes and poor availability of memory (Peter Kogge, 2008). This new challenge for application development is motivating a significant amount of research and development on new programming models and runtime systems designed to simplify large-scale application development. Unfortunately, DoE has significant multi-decadal investment in a large family of mission-critical scientific applications. Scaling these applications to exascale machines will require a significant investment that will dwarf the costs of hardware procurement. A key reason for the difficulty in transitioning today's applications to exascale hardware is their reliance on explicit programming techniques, such as the Message Passing Interface (MPI) programming model to enable parallelism. MPI provides a portable and high performance message-passing system that enables scalable performance on a wide variety of platforms. However, it also forces developers to lock the details of parallelization together with application logic, making it very difficult to adapt the application to significant changes in the underlying system. Further, MPI's explicit interface makes it difficult to separate the application's synchronization and communication structure, reducing the amount of support that can be provided by compiler and run-time tools. This is in contrast to the recent research on more implicit parallel programming models such as Chapel, OpenMP and OpenCL, which promise to provide significantly more flexibility at the cost of reimplementing significant portions of the application. We are developing CoMPI, a novel compiler-driven approach to enable existing MPI applications to scale to exascale systems with minimal modifications that can be made incrementally over the application's lifetime. It includes: (1) New set of source code annotations, inserted either manually or automatically, that will clarify the application's use of MPI to the compiler infrastructure, enabling greater accuracy where needed; (2) A compiler transformation framework that leverages these annotations to transform the original MPI source code to improve its performance and scalability; (3) Novel MPI runtime implementation techniques that will provide a rich set of functionality extensions to be used by applications that have been transformed by our compiler; and (4) A novel compiler analysis that leverages simple user annotations to automatically extract the application's communication structure and synthesize most complex code annotations.

97 MATHEMATICS AND COMPUTING↗

Optimization Studies for ISOL Type High-Powered Targets

The research studied one-step and two-step Isotope Separation on Line (ISOL) targets for future radioactive beam facilities with high driver-beam power through advanced computer simulations. As a target material uranium carbide in the form of foils was used because of increasing demand for actinide targets in rare-isotope beam facilities and because such material was under development in ISAC at TRIUMF when this project started. Simulations of effusion were performed for one-step and two step targets and the effects of target dimensions and foil matrix were studied. Diffusion simulations were limited by availability of diffusion parameters for UC x material at reduced density; however, the viability of the combined diffusion?effusion simulation methodology was demonstrated and could be used to extract physical parameters such as diffusion coefficients and effusion delay times from experimental isotope release curves. Dissipation of the heat from the isotope-producing targets is the limiting factor for high-power beam operation both for the direct and two-step targets. Detailed target models were used to simulate proton beam interactions with the targets to obtain the fission rates and power deposition distributions, which were then applied in the heat transfer calculations to study the performance of the targets. Results indicate that a direct target, with specification matching ISAC TRIUMF target, could operate in 500-MeV proton beam at beam powers up to ~40 kW, producing ~8 10 13 fission/s with maximum temperature in UCx below 2200 C. Targets with larger radius allow higher beam powers and fission rates. For the target radius in the range 9-mm to 30-mm the achievable fission rate increases almost linearly with target radius, however, the effusion delay time also increases linearly with target radius.

43 PARTICLE ACCELERATORS↗

Verification and Large Deformation Analysis Using the Reproducing Kernel Particle Method

The reproducing kernel particle method (RKPM) is a meshless method used to solve general boundary value problems using the principle of virtual work. RKPM corrects the kernel approximation by introducing reproducing conditions which force the method to be complete to arbritrary order polynomials selected by the user. Effort in recent years has led to the implementation of RKPM within the Sierra/SM physics software framework. The purpose of this report is to investigate convergence of RKPM for verification and validation purposes as well as to demonstrate the large deformation capability of RKPM in problems where the finite element method is known to experience difficulty. Results from analyses using RKPM are compared against finite element analysis. A host of issues associated with RKPM are identified and a number of potential improvements are discussed for future work.

97 MATHEMATICS AND COMPUTING↗

Fourteenth Exotic Beam Summer School EBSS 2015

The Fourteenth Annual Exotic Beam Summer School EBSS 2015 was held August 2nd - August 7th, 2015, and belongs to the series of summer programs aimed at educating future workforce in nuclear physics-related areas, mostly about the challenges of radioactive ion beam physics. Through these schools the research community will be able to exploit fully the opportunities created by the exotic beam facilities. These facilities in the US include CARIBU at ANL, the NSCL and the future FRIB laboratory as well as smaller-scale university laboratories. The skill set needed by the future workforce is very diverse and a fundamental understanding of theoretical, technical, computational and applied fields are all important. Therefore, the Exotic Beam Summer Schools follow a unique approach, in which the students not only receive lectures but also participate in hands-on activities. The lectures covered broad topics in both the experimental and theoretical physics of nuclei far from stability as well as radioactive ions production and applications. The afternoons provided opportunities for "hands-on" projects with experimental equipment and techniques useful in FRIB research. Five activities were performed in groups of eight students, rotating through the activities over the five afternoons of the school. The center of the activities was an experiment at the FSU tandem accelerator, measuring the angular distribution and cross section of the 12 C(d,p) 13 C transfer reaction, measured with a silicon telescope in a scattering chamber. The experimental data were analyzed by performing a DWBA calculation with the program DWUCK, and the resulting spectroscopic factors were compared to a shell model calculation. The other activities included target preparation, digital gamma-spectroscopy and modern neutron detection methods.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Photometrics Tools Summer Student Presentation

Objectives: Design a GUI that could convert .mov video files into .mp4 and/or .wmv files; Design a GUI that could extract and save a small portion of a large video file.; Develop a widget that is modular and could be easily integrated into any future project.

97 MATHEMATICS AND COMPUTING↗

Engage the ISO C++ Standard Committee

This report documents the completion of milestone STPRO4-26 Engaging the C++ Committee. The Kokkos team attended the three C++ Committee meetings in San Diego, Hawaii, and Cologne with multiple members, updated multiple in-flight proposals (e.g. MDSpan, atomic ref), contributed to numerous proposals central for future capabilities in C++ (e.g. executors, affinity) and organized a new effort to introduce a Basic Linear Algebra library into the C++ standard. We also implemented a production quality version of mdspan as the basis for replacing the vast majority of the implementation of Kokkos::View, and thus start the transitioning of one of the core features in Kokkos to its future replacement.

97 MATHEMATICS AND COMPUTING↗

National-Tribal Critical Infrastructure Protection: Collaboration for Extraordinary National Security Benefit

This paper examines national and tribal collaborative opportunities to get ahead of the critical infrastructure insecurity problem. Recommendations are viewed through the lens of the Sandia Labs Tribal Cyber-Energy initiative and national security projects. Recommendations include 1) Collaboratively address national priority and shared challenges to gain faster and better solutions to national priority problems on a smaller yet comprehensive American Indian and Alaskan Native sovereign single-point of authority scale 2) Utilize newer standards-based technologies to provide scalable, capable, and manageable solutions for greatly expanded and connected national critical infrastructures 3) Employ Cyber-Physical-Resilient design preliminary analysis to define concept- to-disposition design requirements for preemptive critical infrastructure risk mitigation and baked-in security; 4) Develop data-centric protection to provide increased information asset protection as data shifts from data-owner operated on-premises infrastructure to virtual service provider data-steward owned and operated off-premises infrastructure; and 5) Balance shared solutions with the National Institute of Science and Technology (NIST) Cybersecurity and Risk Management frameworks, and the System Security Engineering Guidelines. As yet unallocated federal funding would support research, development, the timely application of National-Tribal critical infrastructure protection, and critical infrastructure Cyber disruption response and recovery with extraordinary mutual benefits for the foreseeable future. The Critical Infrastructure Insecurity Problem: Rapid modernization and expansive connectivity are due to advances in Information and Communications Technologies that have sweeping cyber impact across all critical infrastructure sectors. Supervisory Control and Data Acquisition and Industrial Control Systems are particularly impacted as systems long separated from the Internet are now being connected and computerized. Virtualization and mobility create a Data Everywhere-User Anywhere paradigm that has evaporated the enterprise network perimeter. There are multi-front technological challenges at play, where long depended on technologies simply don't scale to current needs resulting in a digital dichotomy of competing old and new standards. New standards-based technologies scale but are not as well-known or as widely deployed, which leaves decision makers, stakeholders, and the workforce in a quandary, caught mid-stream between the technological past and the virtual future. Rapid and expansive cyber threat accompanies disruptive change in connectivity and computational dependencies. A lack of action will exacerbate the problem if new technologies roll out without baked-in security design. The Risk: If National-Tribal CIP collaboration to design in security is not done, then an ongoing state of insufficient bolt-on security and elevated threat exposure will remain for years to come.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Integrating Concentrating Solar Power Technologies into the Hybrid Optimization and Performance Platform (HOPP)

As the world increases renewable energy deployment, there is an increasing interest in hybridizing various generation and storage technologies to maximize net benefit to the developer and/or off-taker. A particularly interesting combination of renewable technologies is concentrating solar power (CSP) with thermal energy storage (TES), photovoltaics (PV), and electrochemical battery energy storage (BESS). Due to the system complexity of CSP technology, it is difficult to evaluate the technological and financial performance of a CSP-PV hybrid system without detailed modeling of annual operations. To address this challenge, we have developed a modeling framework for evaluating the performance and financial viability of CSP systems hybridized with PV and battery technologies. This modeling effort incorporates CSP tower and trough systems into an existing modeling tool recently developed by NREL referred to as the Hybrid Optimization and Performance Platform (HOPP). This report outlines the modeling methodology as well as preliminary results from example case studies conducted using the model. The methodology describes: (i) the integration of CSP tower and troughs into HOPP using python interfaces to access System Advisor Model (SAM) underlining technology models, (ii) the mathematical formulation of the mixed integer linear program dispatch optimization model which optimizes operations of storage asset to either maximize system revenue or minimize operating cost while load following, (iii) the design analysis methods implemented within HOPP, and (iv) simulation clustering for the purposes of reducing computational expense. We exercise the model using a case study of a future scenario where we assume (i) CSP and PV technologies achieve the 2030 cost targets provided by the Solar Energy Technologies Office (SETO), (ii) battery costs reduce to the 2030 mid cost projection presented by NREL. Lastly, (iii) electricity prices for southern California in 2030 are provided by NREL's Cambium database, and (iv) a capacity payment of $150/kW-yr based on the system capacity factor during the to 100 net-load hours.

14 SOLAR ENERGY↗

Thirty years at LANL - case study [Slides]

Outline: Different perspective on interface reconstruction; Moments-based interface reconstruction - moment of fluid (MOF), MOF 2 ; Moments and their meaning, reference ellipse; Examples of reconstruction in one cell; Interface reconstruction in one cell; Interface reconstruction on full mesh; Advection; Interface remapping; Arbitrary Langrangian-Eulerian Methods - Sketch; Possible Extensions; Conclusion and Future Work.

97 MATHEMATICS AND COMPUTING↗

Optimization of Conditions for Photoluminescence-Based Sensing of Critical Minerals: Strategies and Outlook

Economically critical minerals and metals are vital to America’s security, with application areas in energy, advanced technologies, and defense systems. The growing implementation of renewable energy sources such as electric vehicles is expected to significantly increase demand for these minerals, while the global supply is monopolistic, with most of the production occurring in a few countries outside of the US. To mitigate potential supply chain vulnerabilities, the domestic production of economically critical metals has become a bipartisan priority of the US government, and unconventional sources such as coal and its utilization byproducts such as fly ash and acid mine drainage are being actively explored as an alternative method for meeting domestic demand. Slow and expensive characterization methods for critical metals present a significant pain point for domestic production, which has led to the exploration of alternative low-cost, portable platforms capable of detecting target metals during resource prospecting and downstream process monitoring. The National Energy Technology Laboratory has developed a portable fiber optic-based luminescence spectrometer that utilizes a metal-organic framework (MOF) material to detect and distinguish parts-per-billion levels of the visible-emitting rare earth elements terbium, dysprosium, samarium, and europium, which are all economically critical metals. Although preliminary results with this system are promising, a crucial barrier to practical deployment is the ability to operate in low pH, high ionic strength environments, as acidic conditions and the presence of other metal ions can significantly reduce luminescence signal. Here, current strategies related to sample treatment, material design, and sensor configuration are discussed in the context of improving sensor performance in application-relevant conditions. Additionally, future opportunities, such as the optimization of the sensing binding environment through computational methods and specific metals to be removed for treatment will be discussed, presenting a forward-looking view for innovation in luminescent sensing of critical metals.

36 MATERIALS SCIENCE↗

Population-level Dark Energy Constraints from Strong Gravitational Lensing using Simulation-Based Inference

In this work, we present a scalable approach for inferring the dark energy equation-of-state parameter ($w$) from a population of strong gravitational lens images using Simulation-Based Inference (SBI). Strong gravitational lensing offers crucial insights into cosmology, but traditional Monte Carlo methods for cosmological inference are computationally prohibitive and inadequate for processing the thousands of lenses anticipated from future cosmic surveys. New tools for inference, such as SBI using Neural Ratio Estimation (NRE), address this challenge effectively. By training a machine learning model on simulated data of strong lenses, we can learn the likelihood-to-evidence ratio for robust inference. Our scalable approach enables more constrained population-level inference of $w$ compared to individual lens analysis, constraining $w$ to within $1\sigma$.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗