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At least 685 records · Page 38

Post-Marcus Theory and Simulation of Interfacial Charge Transfer Dynamics in Organic Semiconducting Materials (Final Report)

The research program developed, validated and applies predictive computational protocols for calculating charge transfer (CT) rates in complex molecular systems, including molecular dyads and triads in liquid solution and solid-state organic semiconducting (OSC) materials. We have established a transformative computational scheme that goes beyond widely used simplifications, to achieve realistic descriptions of CT processes. The approach properly addresses the contribution of molecular environment at ambient conditions to CT processes. Our approach achieves unique insight on investigated CT processes in relevant experimental efforts. The collaborative team included three principal investigators (PIs), with complimentary expertise in classical molecular dynamics simulations and data science (Cheung), state-of-the-art electronic structure calculations (Dunietz), and cutting-edge theory and simulation techniques for modeling energy, charge and coherence transfer dynamics in molecular systems (Geva).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Craft Images for posting within SM38 and for union interactions

SM38 is updating the look of the building and putting up images of LANL Craft at work in the hallways. The images below are candidates for putting on these displays. Black and white images are historical images from images.lanl.gov.

99 GENERAL AND MISCELLANEOUS↗

Multi-Probe 22A: Post shot Data and Analysis

The Multi-Probe 22A experiments took place on the Omega EP laser in March 2022. The goal was to discover issues with simultaneous x-ray and proton radiography of static and dynamic test objects. The x-ray and proton probes were generated by short-pulse laser-matter interactions. Significant crosstalk between the proton beam and x-ray detector was observed. Several static radiographs were made, including a set of proton images made with different laser energies. No dynamic objects were radiographed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Post-Closure Inspection (PCI) Letter Report for Closed Non-Resource Conservation and Recovery Act (RCRA) Corrective Action Units (CAUs) on the Nevada National Security Site (NNSS), for Calendar Year (CY) 2020

This letter report is for the following CAUs for CY 2020, including CAUs located on the Nevada Test and Training Range (NTTR) that are accessed through the NNSS Main Gate. Use restriction (UR) issues that were identified in the 2019 inspections were addressed in 2020.

54 ENVIRONMENTAL SCIENCES↗

Calendar Year 2020 Post-Closure Monitoring Report for Corrective Action Unit 99: Rainier Mesa/Shoshone Mountain, Underground Test Area, Nevada National Security Site, Nevada (Rev. 1)

This report presents the results of monitoring conducted for water quality, water levels, and institutional controls in calendar year (CY) 2020 by the U.S. Department of Energy (DOE), Environmental Management (EM) Nevada Program’s Underground Test Area (UGTA) Activity at Corrective Action Unit (CAU) 99, Rainier Mesa/Shoshone Mountain (RM/SM), at the Nevada National Security Site (NNSS), Nevada. This report also presents analytical laboratory results (including results of quality assurance/quality control samples, such as field duplicates [FDs]), and verification of use restrictions (URs), institutional controls, and water usage. Groundwater samples were collected; water levels were measured; and well site surveillance was conducted in support of the Underground Test Area Closure Report (CR) for Corrective Action Unit 99: Rainier Mesa/Shoshone Mountain, Nevada National Security Site, Nevada (DOE/EMNV, 2020). Rainier Mesa (RM) was the site of 61 underground nuclear tests, and Shoshone Mountain (SM) was the site of 6 underground nuclear tests. As a result of these activities, which took place from 1957 to 1992, radionuclides (RNs) were released in the subsurface in the vicinity of the detonations. These 67 underground nuclear tests are associated with 66 specific corrective action site (CAS) numbers, as listed in the Federal Facility Agreement and Consent Order (FFACO) (1996, as amended). Two tests, HURON LANDING and DIAMOND ACE (conducted simultaneously), are included within one CAS. The CR (DOE/EMNV, 2020) establishes the regulatory boundaries and regulatory boundary objectives, monitoring program, UR boundaries and URs, and other institutional controls agreed to by EM Nevada Program and the Nevada Division of Environmental Protection (NDEP) for closure of CAU 99. Regulatory boundaries for the RM/SM CAU were established to protect receptors of groundwater from RN contamination within the three downgradient groundwater basins that receive recharge from RM. The SM regulatory boundary was established to verify that RN contamination does not reach the lower carbonate aquifer below SM. The UR boundaries were established based on contaminant simulation forecasts from the flow and transport simulations with consideration of site-specific topographical controls. The URs associated with the UR boundaries were identified to protect onsite workers and the public from inadvertent exposure to contaminated groundwater as forecasted to occur assuming current conditions. The UR is intended to restrict activities that might expose workers to contaminated groundwater within the UR area. In addition to the URs, other institutional controls are established to monitor and limit access to groundwater. These include federal ownership and management in perpetuity, controlled access of the NNSS and surrounding areas, and reporting water use on the NNSS and surrounding hydrographic basins.

54 ENVIRONMENTAL SCIENCES↗

Multi-Probe 23A: Post shot Data and Analysis

The Multi-Probe 23A experiments took place on the Omega EP laser in December 2022. The experiments consisted of shots alternating between Omega EP’s two short-pulse laser beams to generate proton and deuteron beams from a variety of film and foam targets. The backlighter was used in the pitcher series, in which deuteron beams were generated to develop a pitcher for a pitcher-catcher neutron radiographic source. The sidelighter was used in the shielding series, in which proton beams was generated, and a metal shield, XBLK, was used to mitigate crosstalk between the proton target and image plates located perpendicularly to the proton beam axis. For the pitcher series, we found that we were able to generate a deuteron beam with CD film, but not CD foam, targets. For the shielding series, we found that 6 mm Al vastly outperformed similar thicknesses of Cu and Ta at mitigating the crosstalk, suggesting that electrons, rather than x-rays, are the primary source of crosstalk.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Non-Resource Conservation and Recovery Act Corrective Action Unit (CAU) Post-Closure Inspection Report, Nevada National Security Site, Nevada For Calendar Year 2022

This report includes visual inspection results, descriptions of maintenance and repair activities, and recommendations for calendar year (CY) 2022 for use restrictions (URs) at corrective action sites (CASs) located on the Nevada National Security Site (NNSS) and on the Nevada Test and Training Range (NTTR) that are accessed through the NNSS Main Gate. This document is formatted by project activity (i.e., Industrial Sites, Soils, and Defense Threat Reduction Agency [DTRA]); then by corrective action unit (CAU); and then by CAS.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Post-Invasion Damage Assessment: Ukraine’s Crop Storage Infrastructure

The Yale School of Public Health's (YSPH) Humanitarian Research Lab (HRL), working in collaboration with Oak Ridge National Labs (ORNL), concludes with high confidence that approximately 21.5% of Ukraine’s estimated 57 million tonnes of crop storage capacity has been impacted by conflict since Russia’s full-scale invasion of Ukraine in February 2022. Intentional and indiscriminate targeting of crop storage infrastructure can constitute a war crime and a crime against humanity under international law.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Student and Post Doctoral Support for the 8th Workshop on Nanotube Optics and Nanospectroscopy (Final Technical Report)

This project provided financial assistance for 20 postdoctoral and graduate students to attend the 8th Workshop on Nanotube Optics and Nanospectroscopy (WONTON 2022). The WONTON 2022 workshop was held in-person in Madison, Wisconsin (USA) from July 24th to 28th, 2022, and the organizers were Dr. Michael Arnold of the University of Wisconsin, Madison and Dr. Jeffrey Blackburn of the National Renewable Energy Laboratory (NREL). The funding support was specifically used to defray the registration costs of 5 postdoctoral attendees and 15 graduate students, who each participated directly in the meeting by presenting a contributed talk or poster.

2D materials↗