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At least 325 records · Page 18

Ab Initio Calculations Of Light-Ion Reactions

The exact treatment of nuclei starting from the constituent nucleons and the fundamental interactions among them has been a long-standing goal in nuclear physics. In addition to the complex nature of nuclear forces, one faces the quantum-mechanical many-nucleon problem governed by an interplay between bound and continuum states. In recent years, significant progress has been made in ab initio nuclear structure and reaction calculations based on input from QCD employing Hamiltonians constructed within chiral effective field theory. In this contribution, we present one of such promising techniques capable of describing simultaneously both bound and scattering states in light nuclei. By combining the resonating-group method (RGM) with the ab initio no-core shell model (NCSM), we complement a microscopic cluster approach with the use of realistic interactions and a microscopic and consistent description of the clusters. We discuss applications to light nuclei scattering, radiative capture and fusion reactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Error-controlled, progressive, and adaptable retrieval of scientific data with multilevel decomposition

Extreme-scale simulations and high-resolution instruments have been generating an increasing amount of data, which poses significant challenges to not only data storage during the run, but also post-processing where data will be repeatedly retrieved and analyzed for a long period of time. The challenges in satisfying a wide range of post-hoc analysis needs while minimizing the I/O overhead caused by inappropriate and/or excessive data retrieval should never be left unmanaged. In this paper, we propose a data refactoring, compressing, and retrieval framework capable of 1) fine-grained data refactoring with regard to precision; 2) incrementally retrieving and recomposing the data in terms of various error bounds; and 3) adaptively retrieving data in multi-precision and multi-resolution with respect to different analysis. With the progressive data re-composition and the adaptable retrieval algorithms, our framework significantly reduces the amount of data retrieved when multiple incremental precision are requested and/or the downstream analysis time when coarse resolution is used. Experiments show that the amount of data retrieved under the same progressively requested error bound using our framework is 64% less than that using state-of-the-art single-error-bounded approaches. Parallel experiments with up to 1, 024 cores and ~ 600 GB data in total show that our approach yields 1.36× and 2.52× performance over existing approaches in writing to and reading from persistent storage systems, respectively.

Liang, Xin↗

The TLK-ASF1 histone chaperone pathway plays a critical role in IL-1β–mediated AML progression

Identifying and targeting microenvironment-driven pathways that are active across acute myeloid leukemia (AML) genetic subtypes should allow the development of more broadly effective therapies. The proinflammatory cytokine interleukin-1β (IL-1β) is abundant in the AML microenvironment and promotes leukemic growth. Through RNA-sequencing analysis, we identify that IL-1β–upregulated ASF1B (antisilencing function-1B), a histone chaperone, in AML progenitors compared with healthy progenitors. ASF1B, along with its paralogous protein ASF1A, recruits H3-H4 histones onto the replication fork during S-phase, a process regulated by Tousled-like kinase 1 and 2 (TLKs). Although ASF1s and TLKs are known to be overexpressed in multiple solid tumors and associated with poor prognosis, their functional roles in hematopoiesis and inflammation-driven leukemia remain unexplored. In this study, we identify that ASF1s and TLKs are overexpressed in multiple genetic subtypes of AML. We demonstrate that depletion of ASF1s significantly reduces leukemic cell growth in both in vitro and in vivo models using human cells. Using a murine model, we show that overexpression of ASF1B accelerates leukemia progression. Moreover, Asf1b or Tlk2 deletion delayed leukemia progression, whereas these proteins are dispensable for normal hematopoiesis. Through proteomics and phosphoproteomics analyses, we uncover that the TLK-ASF1 pathway promotes leukemogenesis by affecting the cell cycle and DNA damage pathways. Collectively, our findings identify the TLK1-ASF1 pathway as a novel mediator of inflammatory signaling and a promising therapeutic target for AML treatment across diverse genetic subtypes. Finally, selective inhibition of this pathway offers potential opportunities to intervene effectively, address intratumoral heterogeneity, and ultimately improve clinical outcomes in AML.

60 APPLIED LIFE SCIENCES↗

Progress and outlook of Sn–Pb mixed perovskite solar cells

Abstract Organic–inorganic hybrid perovskites have revolutionized solar cell research owing to their excellent material properties. Most previous research has been done on Pb-based perovskites. Recently, efforts to discover a Pb-free or Pb-less perovskite material with an ideal bandgap ranging 1.1–1.3 eV have led researchers to investigate Sn–Pb mixed perovskites. Sn–Pb mixed perovskites have a bandgap of ~ 1.25 eV, which is suitable for high-efficiency single-junction and perovskite/perovskite tandem solar cells. Moreover, the Pb content of Sn–Pb mixed perovskites is 50–60% lower than that of Pb-based perovskites, partially mitigating the Pb toxicity issue. However, incorporating Sn 2+ into the crystal structure also causes various drawbacks, such as inhomogeneous thin film morphologies, easy oxidation of Sn 2+ , and more vulnerable surface properties. Researchers have made substantial progress in addressing these challenges through improvements in compositional design, structural optimization, precursor design, and surface treatments. In this review, we provide a comprehensive overview of the progress in Sn–Pb mixed perovskite solar cells. Furthermore, we analyze the key variables and trends as well as provide an outlook for future directions in the research on Sn–Pb mixed perovskites. Graphical Abstract

14 SOLAR ENERGY↗

Network Analysis of Breast Cancer Progression and Reversal Using a Tree-Evolving Network Algorithm

The HMT3522 progression series of human breast cells have been used to discover how tissue architecture, microenvironment and signaling molecules affect breast cell growth and behaviors. However, much remains to be elucidated about malignant and phenotypic reversion behaviors of the HMT3522-T4-2 cells of this series. We employed a ‘‘pan-cell-state’’ strategy, and analyzed jointly microarray profiles obtained from different state-specific cell populations from this progression and reversion model of the breast cells using a tree-lineage multi-network inference algorithm, Treegl. We found that different breast cell states contain distinct gene networks. The network specific to non-malignant HMT3522-S1 cells is dominated by genes involved in normal processes, whereas the T4-2-specific network is enriched with cancer-related genes. The networks specific to various conditions of the reverted T4-2 cells are enriched with pathways suggestive of compensatory effects, consistent with clinical data showing patient resistance to anticancer drugs. We validated the findings using an external dataset, and showed that aberrant expression values of certain hubs in the identified networks are associated with poor clinical outcomes. Thus, analysis of various reversion conditions (including non-reverted) of HMT3522 cells using Treegl can be a good model system to study drug effects on breast cancer.

59 BASIC BIOLOGICAL SCIENCES↗

Progression of herpesvirus infection remodels mitochondrial organization and metabolism

Viruses target mitochondria to promote their replication, and infection-induced stress during the progression of infection leads to the regulation of antiviral defenses and mitochondrial metabolism which are opposed by counteracting viral factors. The precise structural and functional changes that underlie how mitochondria react to the infection remain largely unclear. Here we show extensive transcriptional remodeling of protein-encoding host genes involved in the respiratory chain, apoptosis, and structural organization of mitochondria as herpes simplex virus type 1 lytic infection proceeds from early to late stages of infection. High-resolution microscopy and interaction analyses unveiled infection-induced emergence of rough, thin, and elongated mitochondria relocalized to the perinuclear area, a significant increase in the number and clustering of endoplasmic reticulum-mitochondria contact sites, and thickening and shortening of mitochondrial cristae. Finally, metabolic analyses demonstrated that reactivation of ATP production is accompanied by increased mitochondrial Ca 2+ content and proton leakage as the infection proceeds. Overall, the significant structural and functional changes in the mitochondria triggered by the viral invasion are tightly connected to the progression of the virus infection.

60 APPLIED LIFE SCIENCES↗

Progress and challenges in traveling-wave (TW) SRF cavity

Traveling-wave (TW) technology can push the accelerator field gradient of niobium SRF cavity to 70MV/m or higher beyond the limit of 50~60MV/m in Standing-wave (SW) technology. The early stages of TW SRF cavity developments had been funded by several SBIR grants to Euclid Techlabs and completed in collaboration with Fermilab through a 1-cell prototype and a proof-of-principle 3-cell TW cavity. The TW resonance excitation in the 3-cell TW cavity at 2K was demonstrated through the low power RF test in early 2024. A high-power test of the 3-cell in TW mode being prepared. To advance a design and technology to fabricate a novel high gradient TW SRF cavity, FNAL proposed a half-meter TW RF design and R&Ds to realize that are in progress. Here we will report the recent progress in the 3-cell TW cavity and the challenges towards a half-meter scale TW cavity.

43 PARTICLE ACCELERATORS↗

Progress in the Measurement of Prompt Neutron Output in Neutron-Induced Fission of 239 Pu: The Chi-Nu Project

Knowledge of the prompt neutron output from neutron-induced fission of 239 Pu is essential to nuclear defense and energy applications. Because the experimental data base is inadequate to constrain models of the spectrum of neutrons from fission, we have embarked on a multi-year program of new measurements of the prompt fission neutron spectrum as a function of the energy of the incident neutron that induces the fission. This is a joint LANL-LLNL project with participation by four university groups in advanced detector development. In the past year much progress has been achieved. The building housing the experiment has been completed and the flight paths including one for this experiment are now constructed. A parallel-plate avalanche counter (PPAC) containing 235 U is installed and working in the beam line. Neutron detectors for both low (<1 MeV) and high (> 0.5 MeV) neutrons have been assembled. The data acquisition system based on waveform digitizers has undergone extensive development and now can handle 10 PPAC channels and 10 neutron detectors simultaneously. In addition, a detector test station centered on a 252 Cf spontaneous fission chamber has been commissioned so that we can characterize our neutron detectors in a well understood experimental environment. Analysis of experiments at this facility has helped us understand the performance of several types of neutron detectors. In addition, the analysis work uncovered that the “standard” 252 Cf fission neutron spectrum in MCNPX disagrees significantly from that presently accepted by the international standards community. One year ago we submitted a report (LA-UR-11-05576) on the accuracies that could be reached under certain assumptions. Several sources of possible systematic uncertainties were identified, and procedures to control these uncertainties were suggested. This report is included as an appendix to this report. One element missing from these estimates was the contribution of backgrounds. It could not be quantified because, at that time, the building and flight path for the experiments had not been constructed. We now have made some measurements of the background and can now add this component to the accuracy projections. This report summarizes the progress in the past year. It also discusses measurements reported in the literature and some factors that should be considered when using these data to optimize parameters in nuclear model codes used in constructing evaluated nuclear data bases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

FY13 Annual Progress Report for SECA Core Technology Program

This progress report covers technical work performed during fiscal year 2013 at PNNL under Field Work Proposal (FWP) 40552. The report highlights and documents technical progress in tasks related to advanced cell and stack component materials development and computational design and simulation.

99 GENERAL AND MISCELLANEOUS↗

FY14 Q1 Progress Report for SECA Core Technology Program

This quarterly progress report was prepared under field work proposal (FWP) 40552 and covers technical work performed during the period October 1 through December 31, 2013 (FY14 1st quarter). The report highlights and documents technical progress and milestone status in tasks related to advanced cell and stack component materials development and computational design and simulation.

99 GENERAL AND MISCELLANEOUS↗

Year 1 Progress Report Computational Materials and Chemical Sciences Network Administration

This document reports progress on the project “Computational Materials and Chemical Sciences Network Administration,” which is supported by DOE BES Grant DE-FG02-02ER45990 MOD 08. As stated in the original proposal, the primary goal of this project is to carry out the scientific administrative responsibilities for the Computational Materials and Chemical Sciences Network (CMCSN) of the U.S. Department of Energy, Office of Basic Energy Sciences. These responsibilities include organizing meetings, publishing and maintaining CMCSN’s website, publishing a periodic newsletter, writing original material for both the website and the newsletter, maintaining CMCSN documentation, editing scientific documents, as needed, serving as liaison for the entire Network, facilitating information exchange across the network, communicating CMCSN’s success stories to the larger community and numerous other tasks outside the purview of the scientists in the CMCSN. Given the dramatic increase in computational power, advances in computational materials science can have an enormous impact in science and technology. For many of the questions that can be addressed by computation there is a choice of theoretical techniques available, yet often there is no accepted understanding of the relative strengths and effectiveness of the competing approaches. The CMCSN fosters progress in this understanding by providing modest additional funding to research groups which engage in collaborative activities to develop, compare, and test novel computational techniques. Thus, the CMCSN provides the “glue” money which enables different groups to work together, building on their existing programs and expertise while avoiding unnecessary duplication of effort. This includes travel funding, partial postdoc salaries, and funding for periodic scientific meetings. The activities supported by this grant are briefly summarized below.

36 MATERIALS SCIENCE↗

Fukushima Daiichi Unit 1 Uncertainty Analysis-Exploration of Core Melt Progression Uncertain Parameters-Volume II

Sandia National Laboratories (SNL) has conducted an uncertainty analysis (UA) on the Fukushima Daiichi unit (1F1) accident progression with the MELCOR code. Volume I of the 1F1 UA discusses the physical modeling details and time history results of the UA. Volume II of the 1F1 UA discusses the statistical viewpoint. The model used was developed for a previous accident reconstruction investigation jointly sponsored by the US Department of Energy (DOE) and Nuclear Regulatory Commission (NRC). The goal of this work was to perform a focused evaluation of uncertainty in core damage progression behavior and its effect on key figures-ofmerit (e.g., hydrogen production, fraction of intact fuel, vessel lower head failure) and in doing so assess the applicability of traditional sensitivity analysis techniques.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

MELCOR/CONTAIN LMR Implementation Report-Progress FY15

This report describes the progress of the CONTAIN-LMR sodium physics and chemistry models to be implemented in to MELCOR 2.1. It also describes the progress to implement these models into CONT AIN 2 as well. In the past two years, the implementation included the addition of sodium equations of state and sodium properties from two different sources. The first source is based on the previous work done by Idaho National Laborat ory by modifying MELCOR to include liquid lithium equation of state as a working fluid to mode l the nuclear fusion safety research. The second source uses properties generated for the SIMMER code. Testing and results from this implementation of sodium pr operties are given. In addition, the CONTAIN-LMR code was derived from an early version of C ONTAIN code. Many physical models that were developed sin ce this early version of CONTAIN are not captured by this early code version. Therefore, CONTAIN 2 is being updated with the sodium models in CONTAIN-LMR in or der to facilitate verification of these models with the MELCOR code. Although CONTAIN 2, which represents the latest development of CONTAIN, now contains ma ny of the sodium specific models, this work is not complete due to challenges from the lower cell architecture in CONTAIN 2, which is different from CONTAIN- LMR. This implementation should be completed in the coming year, while sodi um models from C ONTAIN-LMR are being integrated into MELCOR. For testing, CONTAIN decks have been developed for verification and validation use. In terms of implementing the sodium m odels into MELCOR, a separate sodium model branch was created for this document . Because of massive development in the main stream MELCOR 2.1 code and the require ment to merge the latest code version into this branch, the integration of the s odium models were re-directed to implement the sodium chemistry models first. This change led to delays of the actual implementation. For aid in the future implementation of sodium models, a new sodium chemistry package was created. Thus reporting for the implementation of the sodium chemistry is discussed in this report.

97 MATHEMATICS AND COMPUTING↗

Final Progress Report for Collaborative Research: Aging of Black Carbon during Atmospheric Transport: Understanding Results from the DOE’s 2010 CARES and 2012 ClearfLo Campaigns

Over the course of this project, we have analyzed data and samples from the Carbonaceous Aerosol and Radiative Effects Study (CARES) and the Clear air for London (ClearfLo) campaign, as well as conducted or participated in laboratory experiments designed to better understand black carbon mixing state and climate-relevant properties. The laboratory campaigns took place at the Pacific Northwest National Laboratory and Carnegie Mellon University to study various climate-relevant aerosol properties of different sources of soot mixing with secondary organic aerosol precursors. Results from some of these activities were summarized in the previous progress report. This final report presents the manuscripts that have been published (many in the period since the last progress report), lists presentations at different conferences based on grant-related activities, and presents some results that are likely to be submitted for publication in the near future.

54 ENVIRONMENTAL SCIENCES↗

MELCOR/CONTAIN LMR Implementation Report - FY16 Progress.

This report describes the progress of the CONTAIN - LMR sodium physics and chemistry models to be implemented in MELCOR 2.1. In the past three years , the implementation included the addition of sodium equations of state and sodium properties from two different sources. The first source is based on the previous work done by Idaho National Laboratory by modifying MELCOR to include liquid lithium equation of state as a working fluid to model the nuclear fusion safety research. The second source uses properties generated for the SIMMER code. The implemented modeling has been tested and results are reported in this document. In addition, the CONTAIN - LMR code was derived from an early version of the CONTAIN code, and many physical models that were developed since this early version of CONTAIN are not available in this early code version. Therefore, CONTAIN 2 has been updated with the sodium models in CONTAIN - LMR as CONTAIN2 - LMR, which may be used to provide code-to-code comparison with CONTAIN - LMR and MELCOR when the sodium chemistry models from CONTAIN - LMR have been completed. Both the spray fire and pool fire chemistry routines from CONTAIN - LMR have been integrated into MELCOR 2.1, and debugging and testing are in progress. Because MELCOR only models the equation of state for liquid and gas phases of the coolant, a modeling gap still exists when dealing with experiments or accident conditions that take place when the ambient temperature is below the freezing point of sodium. An alternative method is under investigation to overcome this gap . We are no longer working on the separate branch from the main branch of MELCOR 2.1 since the major modeling of MELCOR 2.1 has been completed. At the current stage, the newly implemented sodium chemistry models will be a part of the main MELCOR release version (MELCOR 2.2). This report will discuss the accomplishments and issues relating to the implementation. Also, we will report on the planned completion of all remaining tasks in the upcoming FY2017, including the atmospheric chemistry model and sodium - concrete interaction model implementation .

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

PSI-Center Final Progress Report

This is the Final Progress Report of the Plasma Science and Innovation Center (PSI-Center) covering March 2014 through February 2017. The Center has accomplished a great deal during this period. The PSI-Center is organized into four groups: Edge and Dynamic Neutrals; Transport and Kinetic Effects; Equilibrium, Stability, and Kinetic Effects in 3D Topologies; and Interface for Validation. Each group has made good progress and the results from each group are given in detail.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

KDHE Project Code: C6-074-00002: Progress and Monitoring Report for the LDB/SVE/AS System at the Former CCC/USDA Grain Storage Facility, Agra, Kansas, in July-December 2015

The Commodity Credit Corporation of the U.S. Department of Agriculture (CCC/USDA) operated a grain storage facility at Agra, Kansas, from the 1950s to the early 1970s. No structures remain on the property, and the land is used for agricultural purposes, specifically wheat production. The property is currently owned by the Kyle Railroad Co. and is leased to Mr. Herb VanEaton. The Pro-Ag Marketing grain storage facility is directly south of the former CCC/USDA facility. Quarterly progress reports for October-December 2008, January-March 2009, and April- June 2009 (Argonne 2009a,b,c) provided detailed information regarding construction and startup of the cleanup. Previous periodic monitoring reports (Argonne 2010a,b,c,d, 2011a,b,c, 2012, 2013a,b,c, 2014a,b) have tracked the subsequent progress of the cleanup effort. Data for evaluation of system performance are collected primarily by sampling SVE effluents, soil gas monitoring points, and groundwater wells for analysis for volatile organic compounds (VOCs). Table 1.1 provides a detailed chronological summary of activities during implementation of the cleanup.

58 GEOSCIENCES↗

Progress Towards an Indirect Neutron Capture Capability at LANSCE: October 2017 – March 2018

We describe progress developing the Device for Indirect Capture Experiments on Radionuclides (DICER) on flight path 13 at the Lujan Center at the Los Alamos Neutron Science Center (LANSCE). This capability is being developed to tightly constrain neutron-capture cross section on short-lived radioactive nuclides of high importance to weapons-program sponsors via neutron total cross section measurements on the same nuclides. In this report, we describe progress in this endeavor during October 2017 through March 2018.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗