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DOE OSTI2011

Electron-magnetohydrodynamic description of a steady-state current flow in a plasma with a three-dimensional localized density perturbation

The problem of a steady-state current flow through a localized density perturbation is analyzed in the framework of electron magnetohydrodynamics. It is examined how the degree of localization of such a flow depends on the plasma magnetization parameter and the geometric characteristics of the density perturbation. Corrections to the unperturbed current field are found by the iteration method. It is shown that the first-order correction to the current can be determined for an arbitrary perturbation. In the case of perfectly conducting plasma, the second-order correction can be found only for dipole perturbations, for which the integral change in the density is zero. In this case, the first-order correction to the current is localized, which makes possible the existence of the second-order correction. The finite plasma conductivity also assists current localization; therefore, for sufficiently small values of the plasma magnetization parameter, both first- and second-order steady-state corrections to the current can be obtained for any moderate plasma density perturbation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2011

Influence of hydrogen on local phase separation in InGaN thin layers and properties of light-emitting structures based on them

Results of studies of hydrogen addition during the growth of thin ({approx}2-3 nm) InGaN layers on their structural properties and properties of light-emitting structures that contain InGaN/GaN heterostructures in the active region are reported. It is shown that, with the known effect of a decrease in the average content of In, hydrogen addition leads to varying the local phase separation in the InGaN layers. Hydrogen addition during the growth of the InGaN layers initially causes suppression of the local phase separation, while hydrogen addition during interruptions of the growth after deposition of the InGaN films leads to a decrease in the size of the formed local In-enriched regions and to a certain increase in the local content of the In atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Laterally localizing potential as a tool for controlling the electron spin relaxation time in GaAs quantum wells

The coherent spin dynamics of electrons localized in a plane of GaAs quantum wells is studied experimentally by the application of an electrically controlled potential. The localizing potential is produced with the use of a metal gate with submicrometer windows deposited onto the sample surface. The photoinduced spin Kerr effect is used to study the electron spin lifetime as a function of the temperature, applied bias, and magnetic field for gates with different sets of windows. It is shown that, with an electrically controlled laterally localizing potential, it is possible to gradually change the electron spin lifetime from several hundreds of picoseconds to several tens of nanoseconds. The dependence of the electron spin relaxation time on the sizes of the lateral localization region is in good qualitative agreement with theoretical prediction.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Partial Electron Localization in a Finite-Size Superlattice Placed in an Electric Field

Partial electron localization in a finite-size superlattice placed in an electric field is considered. The role of electric field in forming of quasilocalized states is investigated. A quantitative criterion for the degree of partial localization is suggested based on analysis of maximal probability density of finding an electron at a given point. It is found that with increase in the electric field the degree of localization does not increase monotonically. Furthermore, the localization is affected stronger by the amplitude of superlattice potential than by the electric field.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Localized States near a Thin Layer with the Nonlinear Properties Separating Nonlinear Focusing and Defocusing Media

Based on the nonlinear Schrödinger equation, new types of localized states near the contact of defocusing and self-focusing media with the Kerr nonlinearity separated by a thin defect layer with the similar nonlinearity have been described. The occurrence of the localized states of two types is demonstrated. The dispersion relations between the excitation localization energy and characteristics of the media and defect layer have been obtained. The localization energy levels for particular cases have been obtained in the explicit analytical form.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

First-Line Gemcitabine and Nab-Paclitaxel Chemotherapy for Localized Pancreatic Ductal Adenocarcinoma

Background: Preoperative chemotherapy provides early treatment of micro-metastases and guaranteed delivery of all components of multimodality therapy for localized pancreatic ductal adenocarcinoma (PDAC). For locally advanced (LA) PDAC, induction chemotherapy is the standard of care. This study evaluated the use of gemcitabine and nab-paclitaxel (Gem/nab-P) as first-line therapy for localized PDAC. Methods: Clinicopathologic features, treatment, and outcomes were evaluated for 99 patients with localized PDAC. The patients were staged using previously published criteria as follows: potentially resectable (PR), borderline type A (BR-A) (anatomy amenable to vascular resection), BR-B (biology suspicious for metastatic disease including high CA19-9), BR–C (comorbidities requiring medical optimization), and LA. Results: The 99 patients (PR/BR/LA: 45/14/40) were treated with Gem/nab-P. Clinical staging showed that 20 patients had PR or BR-A disease, whereas 39 patients had BR-B or BR-C disease. The BR-B+C cases included one or more of the following: age of 80 years or older (13%), Eastern Cooperative Oncology Group performance status (ECOG PS) of 2 or more (13%), moderate to severe comorbidities (55%), CA19-9 of 1000 or higher (28%), and suspicion for metastases (21%). The majority of the patients received biweekly Gem/nab-P dosing, which was well tolerated. Pancreatectomy was performed for 12 (60%) of 20 patients with PR+BR-A, 2 (5%) of 39 patients with BR-B+C, and 1 (3%) of 40 patients with LA disease. During a median follow-up period of 26 months, the median overall survival (OS) period was 18 months (95% confidence interval [CI], 15.6–20.5 months) for all the patients, 17 months (95% CI, 14.6–19.5 months) for the unresected patients, and not reached for the resected patients (p = 0.028 for resected vs unresected patients). Conclusions: A significant number of patients with radiographically resectable PDAC albeit aggressive biology (BR-B), medically inoperable conditions (BR-C), or both received biweekly first-line Gem/nab-P. The resection rates were lower for the BR-B/BR-C patients than for the PR/BR-A patients (hazard ratio [HR], 0.43; 95% CI, 0.19–1.00; p = 0.05).

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2019

Ultrabroadband infrared near-field spectroscopy and imaging of local resonators in percolative gold films

Percolation processes are ubiquitous in nature and are responsible for many critical phenomena such as first-order phase transitions and infectious epidemic networks. The optical properties of a percolative medium can generally be captured by the effective medium approximation (EMA) when the degree of percolation and the properties of the constituent materials are properly addressed. However, the important local collective responses of nanoclusters in the deep subwavelength regime are often only phenomenologically addressed in the standard EMA formalism. Additionally, a comprehensive method that measures local light–matter interactions and registers how the local responses influence global optical properties has yet to be established on a firm basis. In this paper, we use infrared nanoimaging/spectroscopy to investigate percolative gold films in the vicinity of the critical percolation threshold. We demonstrate experimentally and theoretically that the near-field spectra yield quantitative information of the characteristic length scale of the local gold clusters and their relative oscillator strengths. As a result, EMA analysis can be augmented with near-field nano-spectroscopy to yield better predictability of the far-field reflection spectrum at the corresponding spectral range.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Machine Learning-Based Identification of the Interface Regions for Coupling Local and Nonlocal Models

Local-nonlocal coupling approaches provide a means to combine the computational efficiency of local models and the accuracy of nonlocal models. However, the coupling process can be challenging, requiring expertise to identify the interface between local and nonlocal regions. Here, this study introduces a machine learning-based approach to automatically detect the regions in which the local and nonlocal models should be used. The method uses loading functions evaluated at grid points to decide the model selection at those points. Training of the networks is based on datasets provided by classes of loading functions for which reference coupling configurations are computed using accurate coupled solutions, where accuracy is measured in terms of the relative error between the solution to the coupling approach and the solution to the nonlocal model. We study two approaches that vary in data structure. The first, the full-domain input data approach, uses the entire load vector and outputs a complete label vector, performing a global classification. The second, a window-based approach, processes loads into windows and addresses the problem as a node-wise classification where each window's central point is classified individually. The classification problems are solved via deep learning algorithms based on convolutional neural networks. The performance of these approaches is studied on one-dimensional numerical examples using F1-scores and accuracy metrics. Notably, the windowing approach achieves an accuracy of 0.96 and an F1-score of 0.97, highlighting its potential to automate coupling processes effectively and enhance computational efficiency in material science applications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Investigating the Effectiveness of P/S Amplitude Ratios for Local Distance Event Discrimination

The ability to discriminate between underground explosions and earthquakes is an important operation for global security and test-ban-treaty monitoring, and seismology plays a key role in this endeavor. The use of seismic P- to S-wave amplitude ratios has been demonstrated to be an effective discriminant at regional distances for a variety of emplacement conditions and test sites around the world. Increasing interest in detecting and discriminating smaller events, both for purposes of nuclear monitoring and seismic hazard estimation, requires the use of data with shorter event-to-station paths. At these local distances (≤ 200 km), the use of P/S ratios for event discrimination is poorly studied compared with regional distances (200-1500 km). The path averaging that allows for relatively simple corrections to P/S ratios to remove bias from along-path structural differences at regional distances may be insufficient to remove enough scatter from the ratios to allow for accurate event identification at local distances. We use data from a series of chemical explosions detonated as part of the Source Physics Experiment at the Nevada National Security Site in southern Nevada and surrounding seismicity to investigate the discrimination performance of P/S ratios at local distances. We find that discrimination at individual stations is highly variable, regardless of frequency. Network averaging of ratios improves discrimination performance above 6 Hz, as a result of the reduction of scatter among the earthquake ratios. Furthermore, azimuthal and distance–limited averaging suggests that explosion ratios are affected by a complicated source and path relationship that may lead to substantial variability in local P/S ratios at different locations.

58 GEOSCIENCES↗

DOE OSTI2021

Local-Distance Seismic Event Relocation and Relative Magnitude Estimation, Applications to Mining Related Seismicity in the Powder River Basin, Wyoming

Recent efforts to characterize small ( M w < 3 ) seismic events at local distances have become more important because of the increased observation of human-triggered and induced seismicity and the need to advance nuclear explosion monitoring capabilities. The signals generated by low-magnitude seismic sources necessitate the use of nearby short-period observations, which are sensitive to local geological heterogeneity. Local to near-regional distance ( < 300 km ) surface and shear waves can dominate short-period observations from small, shallow seismic sources. In this work, we utilize these observations to estimate precise, relative locations and magnitudes of ~ 700 industrial mining events in Wyoming, using nearly 360,000 observations. The precise, relative location estimates (with formal location uncertainty estimates of less than 1 km) collapse a diffuse collection of mining events into discrete clusters associated with individual blasting operations. We also invert the cross-correlation amplitudes to estimate precise, relative moment magnitude estimates, which help validate and identify disparities in the event sizes reported by regional network catalogs. Joint use of multiple phases allows for the inclusion of more seismic events due to the increase in the number of observations. In some cases, using a single phase allowed us to relocate only 50% of the original reported seismic events within a cluster. Combining shear- and surface-wave phases increased the number of events to above 90% of the original events, allowing us to characterize a broader range of event sizes, source to station distances, and event distributions. This analysis takes a step toward making a fuller characterization of small industrial seismic events observed at local distances.

58 GEOSCIENCES↗

DOE OSTI2021

Exploring the Effects of Emplacement Conditions on Explosion P/S Ratios across Local to Regional Distances

High-frequency (~> 2 Hz) seismic P/S amplitude ratios are well-established as a discriminant to distinguish between natural earthquakes and underground explosions at regional distances (~200–1500 km). As research shifts toward identifying lower-yield events, work has begun to investigate the potential of this discriminant for use at local distances (<200 km), in which initial results raise questions about its effectiveness. Here, we utilize data from several chemical explosion experiment series at the Nevada National Security Site in southern Nevada in the United States to study explosion Pg/Lg ratios across the range of local to regional distances. Additionall, the experiments are conducted over differing emplacement conditions, with contrasting geologies and a variety of yields and depths of burial, including surface explosions. We first establish the similarities of Pg/Lg ratios from chemical explosions to those from historic nuclear tests and conclude that, as previous data have suggested, chemical explosion ratios are good proxies for nuclear tests. We then examine Pg/Lg ratios from the new experiment series as functions of distance, yield, depth of burial, and scaled depth of burial (SDOB). At far-local and regional distances, we observe consistently higher ratios from hard-rock explosions compared to ones in a weaker dry alluvium medium, consistent with prior regional distance results. No other trends with yield, depth of burial, or SDOB are strongly evident. Scatter in the observed ratios is very high, particularly at the shortest event-to-station distances, suggesting that small-scale path effects play a significant role. On average, the local distance explosion Pg/Lg ratios show remarkable consistency across all the variations in emplacement. Explosion source models will need to reproduce these results.

58 GEOSCIENCES↗

DOE OSTI2011

Predicting the impacts of climate change on animal distributions: the importance of local adaptation and species' traits

The geographic range limits of many species are strongly affected by climate and are expected to change under global warming. For species that are able to track changing climate over broad geographic areas, we expect to see shifts in species distributions toward the poles and away from the equator. A number of ecological and evolutionary factors, however, could restrict this shifting or redistribution under climate change. These factors include restricted habitat availability, restricted capacity for or barriers to movement, or reduced abundance of colonists due the perturbation effect of climate change. This research project examined the last of these constraints - that climate change could perturb local conditions to which populations are adapted, reducing the likelihood that a species will shift its distribution by diminishing the number of potential colonists. In the most extreme cases, species ranges could collapse over a broad geographic area with no poleward migration and an increased risk of species extinction. Changes in individual species ranges are the processes that drive larger phenomena such as changes in land cover, ecosystem type, and even changes in carbon cycling. For example, consider the poleward range shift and population outbreaks of the mountain pine beetle that has decimated millions of acres of Douglas fir trees in the western US and Canada. Standing dead trees cause forest fires and release vast quantities of carbon to the atmosphere. The beetle likely shifted its range because it is not locally adapted across its range, and it appears to be limited by winter low temperatures that have steadily increased in the last decades. To understand range and abundance changes like the pine beetle, we must reveal the extent of adaptive variation across species ranges - and the physiological basis of that adaptation - to know if other species will change as readily as the pine beetle. Ecologists tend to assume that range shifts are the dominant response of species to climate change, but our experiments suggest that other processes may act in some species that reduce the likelihood of geographic range change. In the first part of our DOE grant (ending 2008) we argued that the process of local adaptation of populations within a species range, followed by climatic changes that occur too quickly for adaptive evolution, is an underappreciated mechanism by which climate change could affect biodiversity. When this process acts, species ranges may not shift readily toward the poles, slowing the rate of species and biome change. To test this claim, we performed an experiment comparing core and peripheral populations in a series of field observations, translocation experiments, and genetic analyses. The papers in Appendix A were generated from 2005-2008 funding. In the second part of the DOE grant (ending 2011) we studied which traits promote population differentiation and local adaptation by building genomic resources for our study species and using these resources to reveal differences in gene expression in peripheral and core populations. The papers in Appendix B were generated from 2008-2011 funding. This work was pursued with two butterfly species that have contrasting life history traits (body size and resource specialization) and occupy a common ecosystem and a latitudinal range. These species enabled us to test the following hypotheses using a single phylogenetic group.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2012

Local System Support for PDB Biological Unit Search and Display (Final Progress Report)

The BIOMOL grant was for 'Local System Support for PDB Biological Unit Search and Display' to augment Rasmol's [Bernstein 2000] [Sayle, Milner-White 1995] existing macromolecular display functions with new capabilities by taking advantage of recent increases in local computing power in order to move functionality that is now scattered among various local and remote systems into one local package. Work included new algorithms for molecular surface display, an extended format for Protein Data Bank Entries, work on issues relating to the integration of multiple diffraction images formats.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2011

Status of the Local Enforcement of Energy Efficiency Standards and Labeling Program in China

As part of its commitment to promoting and improving the local enforcement of appliance energy efficiency standards and labeling, the China National Institute of Standardization (CNIS) launched the National and Local Enforcement of Energy Efficiency Standards and Labeling project on August 14, 2009. The project’s short-term goal is to expand the effort to improve enforcement of standards and labeling requirements to the entire country within three years, with a long-term goal of perfecting overall enforcement. For this project, Jiangsu, Shandong, Sichuan and Shanghai were selected as pilot locations. This report provides information on the local enforcement project’s recent background, activities and results as well as comparison to previous rounds of check-testing in 2006 and 2007. In addition, the report also offers evaluation on the achievement and weaknesses in the local enforcement scheme and recommendations.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2013

CO 2 Sequestration Capacity and Associated Aspects of the Most Promising Geologic Formations in the Rocky Mountain Region: Local-Scale Analyses

The purpose of this report is to provide a summary of individual local-scale CCS site characterization studies conducted in Colorado, New Mexico and Utah. These site- specific characterization analyses were performed as part of the “Characterization of Most Promising Sequestration Formations in the Rocky Mountain Region” (RMCCS) project. The primary objective of these local-scale analyses is to provide a basis for regional-scale characterization efforts within each state. Specifically, limits on time and funding will typically inhibit CCS projects from conducting high- resolution characterization of a state-sized region, but smaller (< 10,000 km 2 ) site analyses are usually possible, and such can provide insight regarding limiting factors for the regional-scale geology. For the RMCCS project, the outcomes of these local-scale studies provide a starting point for future local-scale site characterization efforts in the Rocky Mountain region.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2012

Strategies for Local Low-Carbon Development

Cities around the world are implementing policies and programs with the goal to reduce greenhouse gas emissions, as well as save energy, reduce costs, and protect the local, regional, and global environment. In China, low-carbon development is a key element of the 12th Five Year Plan. Pilot low-carbon development zones have been initiated in five provinces and eight cities and many other locations around China also want to pursue a low-carbon development pathway. This booklet provides information for government officials, policy makers, program designers and implementers, provincial and city planners, and others who want an overview of the key options available for low-carbon development at local level. These Strategies for Local Low-Carbon Development draw from successful experiences from around the world. Information is provided for low-carbon actions that can be taken in the sectors of (1) Industry, (2) Buildings and Appliances, (3) Electric Power, (4) Consumption and Waste Management, (5) Transportation and Urban Form, and (6) Agriculture and Forestry. A description of each policy is provided along with information on the stakeholders involved in implementation, the conditions for successful implementation, the expected energy and carbon savings, and the policy cost-effectiveness. Case studies show how each policy has been implemented somewhere around the world. While there are many low-carbon options available for local implementation, this booklet aims to provide guidance on those that have been most successful, that have the largest impact, and that are cost-effective in order to support low-carbon development efforts in Chinese cities.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2015

Strong Local-Nonlocal Coupling for Integrated Fracture Modeling

Peridynamics, a nonlocal extension of continuum mechanics, is unique in its ability to capture pervasive material failure. Its use in the majority of system-level analyses carried out at Sandia, however, is severely limited, due in large part to computational expense and the challenge posed by the imposition of nonlocal boundary conditions. Combined analyses in which peridynamics is employed only in regions susceptible to material failure are therefore highly desirable, yet available coupling strategies have remained severely limited. This report is a summary of the Laboratory Directed Research and Development (LDRD) project “Strong Local-Nonlocal Coupling for Integrated Fracture Modeling,” completed within the Computing and Information Sciences (CIS) Investment Area at Sandia National Laboratories. A number of challenges inherent to coupling local and nonlocal models are addressed. A primary result is the extension of peridynamics to facilitate a variable nonlocal length scale. This approach, termed the peridynamic partial stress, can greatly reduce the mathematical incompatibility between local and nonlocal equations through reduction of the peridynamic horizon in the vicinity of a model interface. A second result is the formulation of a blending-based coupling approach that may be applied either as the primary coupling strategy, or in combination with the peridynamic partial stress. This blending-based approach is distinct from general blending methods, such as the Arlequin approach, in that it is specific to the coupling of peridynamics and classical continuum mechanics. Facilitating the coupling of peridynamics and classical continuum mechanics has also required innovations aimed directly at peridynamic models. Specifically, the properties of peridynamic constitutive models near domain boundaries and shortcomings in available discretization strategies have been addressed. The results are a class of position-aware peridynamic constitutive laws for dramatically improved consistency at domain boundaries, and an enhancement to the meshfree discretization applied to peridynamic models that removes irregularities at the limit of the nonlocal length scale and dramatically improves convergence behavior. Finally, a novel approach for modeling ductile failure has been developed, motivated by the desire to apply coupled local-nonlocal models to a wide variety of materials, including ductile metals, which have received minimal attention in the peridynamic literature. Software implementation of the partial-stress coupling strategy, the position-aware peridynamic constitutive models, and the strategies for improving the convergence behavior of peridynamic models was completed within the Peridigm and Albany codes, developed at Sandia National Laboratories and made publicly available under the open-source 3-clause BSD license.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Design of novel nano-carriers for multi-enzyme co-localization

The main objective of this project is to design novel nano-structured carriers and strategies to co-localize multiple enzymes to mimic the functionalities of MECs. In order to achieve this goal, distinct approaches for enzyme co-localization were developed and evaluated. Specifically, we investigated different polymeric nano-carriers, both flexible and rigid, as platforms for co-localization, as well as distinct enzyme attachment techniques using model enzyme systems using glucose oxidase and horseradish peroxidase to control the spatial arrangement of the multiple enzymes on the nanocarriers. This platform technology can be potentially used to co-localize various enzyme systems and its broad applicability will be tested using the sclareol biosynthesis process to control the formation of products through the formation of MECs with multiple enzymes NgCPS and sSsSS to regulate the pathway of reactive intermediate to enhance the final product conversion rate.

59 BASIC BIOLOGICAL SCIENCES↗