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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Physical Sciences Vistas: Perspectives on Excellence in Mission-Focused Science, Technology, and Engineering at Los Alamos Laboratory (Issue 1, 2020)

This is the first 2020 issue of Physical Sciences Vistas, with a focus on “excellence in mission-focused science, technology, and engineering.” Excellence in mission-focused ST&E comprises one of the four elements of the Laboratory Agenda, focusing on sustaining and enhancing LANL’s science base. This issue highlights the diverse efforts of personnel in our Physical Sciences Directorate (ALDPS) to enhance science, technology, and engineering at the Laboratory. As we reflect on work at the Laboratory, mostly from our homes due to COVID-19, it is gratifying to see the important, diverse contributions to ST&E across ALDPS.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Physical Sciences Vistas Issue 2, 2020

Dedication and collaboration accelerate mission-essential LANSCE isotope production; Rigorous operations result in newly outfitted gloveboxes; Continuous improvements deliver high-value subcrit data; 'Magnet surge’ expands capabilities for higher tesla science.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

Physical Sciences Vistas (Issue 3 2020)

In this issue, highlights of our outstanding R&D supporting the Laboratory’s nuclear security mission include the following. 1. The essential nuclear materials science contributions of MST’s Materials Properties Team to a range of Lab missions, operations, and initiatives. 2. Work in the Sigma Complex supporting NNSA’s Advanced Manufacturing Development milestones by members of Sigma Division and colleagues across the Laboratory and other NNSA sites. 3. Greg Dale’s role in the Lab’s molybdenum program and today as a technical lead on the Scorpius project. 4. Measurements that reveal the role thermal interfaces play in dynamic compression experiments. 5. The first-ever synthesis of an actinide framework, which offers opportunities for understanding these structures as potential radioactive waste forms and provides new models of actinide species transport in the environment. This issue also showcases, as part of our commitment to simultaneous excellence in mission operations and community relations, the successful high-hazard repair of the LANSCE accelerator, which resulted in a large team Laboratory Distinguished Performance Award, and a virtual Summer Physics Camp for Young Women that brought together participants from around the world, even as COVID kept them socially distant in their homes.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Physical Sciences Vistas (Issue 2 2021) [Newsletter]

I am pleased to introduce the second 2021 issue of Physical Sciences Vistas, with a focus on “excellence in mission-focused science, technology, and engineering.” Excellence in mission-focused ST&E within the Physical Sciences Directorate (ALDPS) spans a broad spectrum of accomplishments in nuclear physics and materials science that sustains and enhances LANL’s science base.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Physics Flash [Newsletter] Winter 2020

The Winter 2020 edition of the Physics Flash newsletter is provided, highlighting activities in the LANL Physical Science Directorate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Physics Flash Spring 2020

Published by the Physical Sciences Directorate at LANL, the Spring 2020 issue of this newsletter contains an update from the division leader, Tanja Pietraß, Physics Division news roundaup, welcome to new hires, snapshots of Physics managers' work-from-home offices, and service celebrations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Second Target Station Project: STS/PSD/ESTD Workshop on Batteries and Energy Storage

Oak Ridge National Laboratory's (ORNL) upcoming Second Target Station (STS) at the Spallation Neutron Source (SNS) provides a substantial leap forward in neutron scattering capabilities, offering high-brightness cold neutron sources that have the potential to revolutionize the study of energy materials. This report highlights the outcomes of a cross-directorate workshop on Batteries and Energy Storage held in September 2023, which brought together stakeholders from the STS Project, the Physical Sciences Directorate (PSD), the Energy Science and Technology Directorate (ESTD), and the Neutron Sciences Directorate (NScD).

25 ENERGY STORAGE↗
DOE OSTI2022

Innovative Science, Technology, and Engineering Addressing the Nation's Most Challenging Problems

The Laboratory has four strategic objectives: nuclear security; mission-focused science, technology, and engineering; mission operations; and community relations. To accomplish our mission, excellence in all areas is our objective — we call that simultaneous excellence. To achieve simultaneous excellence, we apply the Safe Conduct of Research principles, an essential part of our strategy.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

CO 2 in Ionene–Ionic Liquid Composite Membranes

Abstract Ionene – ionic liquid (IL) composites are promising materials for CO 2 separation, yet a molecular‐level understanding of their structure and its impact on CO 2 speciation, solubility, rotation, and diffusivity remains unclear. Herein, using multimodal nuclear magnetic resonance (NMR), time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS), atomic force microscopy (AFM), and molecular dynamics (MD) simulations, we reveal that the composites contain IL‐rich domains extending across hundreds of nanometres within the ionene matrix, and these bicontinuous domains span the entire membrane depth. CO 2 also absorbs into the ionene matrix, with the distribution between two CO 2 species varying with temperature and time. The rotational correlation times of these two species are on the timescale of 0.1 and 1 ns, respectively. As IL content increases, the ionic domains expand, resulting in higher CO 2 solubility due to enhanced molecular dynamics and increased free volume in both ionene backbones and IL‐rich regions. Although CO 2 diffusion in the membranes is an order of magnitude slower than in bulk IL, the activation energy for CO 2 diffusion remains comparable. Ionene‐IL composites represent a promising platform for designing CO 2 separation membranes, offering enhanced CO 2 diffusion and selectivity through IL‐rich domains, and increased CO 2 solubility and mechanical integrity from the ionene matrix.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Nuclear and Chemical Sciences Division: Investment Strategy 2023

The mission of the Nuclear and Chemical Sciences (NACS) Division within the Physical and Life Sciences (PLS) Directorate is to advance scientific understanding, capabilities, and technologies in nuclear and particle physics, radiochemistry, forensic science, and isotope systems to support LLNL’s national security mission. NACS Division personnel conduct a diverse range of research activities in particle physics, nuclear physics, radiation detection, nuclear measurements, chemical and nuclear forensic science, nuclear and radiochemistry, isotope geochemistry, and environmental science. These areas are leveraged to address evolving national security challenges. Scientific research provides the foundation for addressing these challenges, and it is also the principal means of attracting, training, and retaining staff scientists who can deliver solutions across the Laboratory’s mission space. The overarching strategy is to position the NACS Division at the nexus between fundamental nuclear and chemical science research and nuclear security applications. This approach will support efforts to recruit, train, and retain top-flight scientists and engineers who will play a key role in executing the Laboratory’s core nuclear security missions, while also enhancing LLNL’s reputation as a center for innovative scientific research. This document describes the strategic vision that will be used to guide key investments aimed at enabling NACS scientists to lead new efforts and meet future challenges.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2024

Developing Capabilities in Physical and Computational Sciences

The Physical and Computational Sciences Directorate (PCSD) performs fundamental research in support of the science missions of Offices of Basic Energy Sciences (BES), Advanced Scientific Computing Research (ASCR), High Energy Physics (HEP), Nuclear Physics (NP), and Fusion Energy Sciences (FES), and others within the domains of the chemical, materials, computational sciences, mathematics, and physics. This LDRD project aims to provide funding to develop/demonstrate research capabilities for proposals and publications to support these science missions. Staff will propose small research tasks/projects to be performed under this overall project.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Selective Recovery of Critical Minerals from Simulated Electronic Wastes Via Reaction‐Diffusion Coupling

Abstract Atom‐ and energy‐efficient chemical separations are urgently needed to meet the surging demand for critical materials that has strained supply chains and threatened environmental damage. In this study, we used reaction‐diffusion coupling to separate iron, neodymium, and dysprosium ions from model feedstocks of permanent magnets, which are typically found in electronic wastes. Feedstock solutions were placed in contact with a hydrogel loaded with potassium hydroxide and/or dibutyl phosphate, resulting in complex precipitation patterns as the various metal ions diffused into the reaction medium. Specifically, we observed the precipitation of up to 40 mM of iron from the feedstock, followed by the enrichment of 73 % dysprosium, and the extraction of >95 % neodymium product at a further distance from the solution‐gel interface. We designed a series of experiments and simulations to determine the relevant ion diffusivities, D Nd =5.4×10 −10 and D Dy =5.1×10 −10 m 2 /s, and precipitation rates, k Nd =1.0×10 −5 and k Dy =5.0×10 −3 m 9 mol −3 s −1 , which enabled a numerical model to be established for predicting the distribution of products in the reaction medium. Our proof‐of‐concept study validates reaction‐diffusion coupling as an effective and versatile approach for critical materials separations, without relying on ligands, membranes, resins, or other specialty chemicals.

Wang, Qingpu [Physical and Computational Sciences ↗
DOE OSTI2026

Investigation of the 244 Pu ⁢( 48 Ca,𝑥⁢𝑛) 292−𝑥 Fl reaction with the LBNL SHREC detector: Investigation of decay chains of isotopes of flerovium (𝑍=114)

The 244 Pu ⁢( 48 Ca,𝑥⁢𝑛)⁢ 292−𝑥 Fl reaction was investigated at Lawrence Berkeley National Laboratory’s 88 Inch Cyclotron using the Berkeley Gas-filled Separator (BGS), the newly installed Superheavy Recoil detector, along with an upgraded digital electronics and data acquisition system. Seven decay chains were observed starting with an evaporation residue, followed by a single 𝛼 decay and a spontaneous fission. The decay characteristics of these seven decay chains led to an assignment to 288 Fl , the product of the 4⁢𝑛 reaction channel. Two additional chains were (tentatively) assigned to the decay of the 3⁢𝑛 exit channel, 289 Fl . Cross sections for the 4⁢𝑛 and 3⁢𝑛 exit channels were 𝜎 prod =6.7⁢($^{36}_{25}$) pb and 𝜎 prod =1.6⁢($^{22}_{11}$) pb, respectively. Another decay chain, tentatively assigned to the 5⁢𝑛 exit channel through the 48 Ca + 244 Pu reaction or the 3⁢𝑛 exit channel of the 48 Ca + 242 Pu reaction, was also detected. Detailed information regarding the observed decay chains and their nuclear structure aspects is discussed, along with the performance of the BGS and the new detection system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Free Energy and Flexibility Analysis of Autoinhibited Human BRAF

The RAF serine/threonine protein kinases function as direct effectors of RAS in the intracellular transmission of extracellular growth signals, and they are key targets for drug discovery, given the high incidence of oncogenic mutations in RAF and other components of this signaling pathway. In its inactive state, RAF is held in an autoinhibited conformation in the cytosol through a combination of intramolecular interactions and binding to a regulatory 14−3−3 protein dimer. Activation of RAF is initiated by its interaction with membrane-localized GTP-bound RAS, which induces conformational changes that release RAF from its autoinhibited state. However, the molecular mechanisms governing RAF activation remain incomplete, largely due to the challenges in experimentally capturing the intermediate conformational states in this process. To address this gap, we developed a comprehensive all-atom model of BRAF based on existing cryo-EM structures. Using this model, we performed extensive molecular dynamics simulations to evaluate the stability and free energy landscape of autoinhibited BRAF in solution. Our analysis reveals conformational flexibility within the autoinhibited complex, suggesting that this dynamic behavior may play a role in facilitating BRAF activation upon engagement with the membrane-bound RAS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Rethinking U.S. Biosecurity Strategy for the Decade Ahead (Workshop Summary)

The Center for Global Security Research (CGSR) at Lawrence Livermore National Laboratory (LLNL) hosted a workshop titled, “Rethinking U.S. Biosecurity Strategy for the Decade Ahead” on October 27-29, 2020. The workshop included participants from the policy, military, and technical communities in the United States as well as from U.S. allies. The workshop, convened virtually due to the ongoing global COVID-19 pandemic, was a close collaboration between CGSR and the Physical Life Sciences (PLS) Directorate at LLNL. While the scope of conference extended beyond current circumstances to include precedents and predictions for both public health and bioweapons, contemporary events weighed heavily on the discussion participants.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Thermodynamic Stability and Site‐Specific Distribution of Graphitic and Pyridinic Nitrogen in Graphene Moiré on Ru(0001)

Abstract Graphene‐like materials are of interest for large‐scale hydrogen storage applications due to their lightweight, durable, and scalable properties. Nitrogen‐doping minimizes kinetic limitations in diffusion and recombination on surfaces, however, the role of graphitic nitrogen (GN) and pyridinic nitrogen (PN) is not well understood. Nitrogen‐doped graphene is synthesized on Ru(0001) using chemical vapor deposition (CVD) of pyridine and ion irradiation. Scanning tunneling microscopy (STM), x‐ray photoelectron spectroscopy (XPS), and density functional theory (DFT) are used to identify the structure, location, and thermodynamic stability of nitrogen species within the graphene moiré. CVD of pyridine results in a low nitrogen concentration (<0.1at%), while the post‐growth nitrogen ion irradiation allows us to increase the concentration further. The concentration of GN and PN is controlled by varying the ion dose and annealing temperature. Comparison of measured and simulated STM images of GN and PN yield an excellent agreement, allowing us to confidently establish that GN is preferentially located near the center of the Atop region, while PN is located in the valley region of the graphene moiré. This report explicitly confirms the site assignments and provides a foundation for the site synthesis and analysis of structural and electronic properties that drive the reactivity of N‐doped graphene.

Gedara, Buddhika S. A. [Physical and Computational↗