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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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Excited State and Transient Chemistry of a Perylene Derivative (DBP). An Untold Story
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The “Hole” Story in Ionized Water from the Perspective of Ehrenfest Dynamics
The radiolysis of liquid water and the radiation-matter interactions that happen in aqueous environments are important to the elds of chemistry, materials, and environmental sciences, as well as biological and physiological response to extreme conditions and medical treatments. The initial stage of radiolysis is the ultrafast response, or hole dynamics, that trigger chemical processes within complex energetic landscapes that may include reactivity. A fundamental understanding necessitates the use of theoretical methods that are capable of simulating both ultrafast coherence and non-adiabatic energy transfer pathways. In this work, we carry out an ab initio Ehrenfest dynamic study in order to provide a more complete description of the ultrafast dynamics and reactive events initiated by photoionization of water. Furthermore, after sudden ionization, the range of processes that include hole trapping and transfer, large OH oscillations, proton transfer and subsequent relay, formation of the metastable Zundel complex, and long-lived coherence, are identied and new insight into their driving forces are elucidated.
Sinter-Resistant Nanoparticle Catalysts Achieved by 2D Boron Nitride-Based Strong Metal–Support Interactions: A New Twist on an Old Story
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Graphene Oxide as a Pb(II) Separation Medium: Has Part of the Story Been Overlooked?
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Understanding how Lewis acids dope organic semiconductors: a “complex” story
Here we report on DFT calculations investigating the mechanistic aspects in doping organic semiconductors by the use of Lewis acids. Our results highlight the role played by the formation of diboron-containing bridged anions in the doping mechanism.
Our Renewable Energy Future: The Remarkable Story of How Renewable Energy Will Become the Basis for Our Lives
Our Renewable Energy Future delves into the clean energy technology evolution and where our energy system is going. While the book's foundation is technology innovation, it brings a unique perspective that technology alone is not what has brought about the explosive growth of renewable energy and offers fresh insights into how technology, economics, social dynamics, policy, and geopolitics are forces affecting our energy future. This book is a culmination of Dr Arent's lifelong passion for energy, sustainable development, and renewable energy technology. It covers the journey of evolving technology, economics, political economy and geopolitics of clean energy over the last 40 years and provides insights for the coming decades. From a technology perspective, the book traces the arc of recent innovations and synthesizes innovations across multiple interacting perspectives into a description of Our Renewable Energy Future.
Tank Waste Characterization: History, Challenges, and Success Stories
The preparation and chemical and radiochemical analysis of Hanford tank waste samples can be performed with standard laboratory equipment and instruments as relatively routine processes that are not particularly challenging. Rather, the main challenges of tank waste characterization are associated with radiological dose and sampling limitations. Accurate, representative and effective sampling techniques are difficult with the waste tanks because they were not designed for routine sampling. There are a finite number of sampling locations for each tank based on riser positioning, depth and the operational functionality of the sampling riser. For example, in one recently emptied SST, there was one riser that was found to have had concrete dumped down it, thereby eliminating that sampling port. Additionally, the waste within the tank; especially true for the saltcake and sludge, is not homogenous. The ability to adequately mix a million-gallon double shell tank (DST) is a concern for data reproducibility. Another real challenge that must be addressed for sampling single shell tanks, is how to dissolve the salt cake waste in a compromised (leaking) SST. These physical constraints mean that uncertainty in the representativeness of samples must be considered when applying analytical results to the bulk contents of the tank. The tank waste is highly radioactive and thus can only be handled initially by facilities that can receive samples into concrete-shielded hot cells with remote operation with an example provided in Figure 1. The shielding protects the worker from the radiological dose while mineral oil windows and remotely operated manipulators enables the samples to be handled. At Hanford, analytical laboratories with these hot cell capabilities are limited to the Pacific Northwest National Laboratory and the main Hanford operations support laboratory, 222-S Laboratory. Because of their highly radioactive nature, samples must be sufficiently diluted to facilitate their analysis outside of a shielded cell. In some cases, this means some accuracy must be compromised to complete the analysis beyond that normally encountered for non-radioactive material.
An iron evaluation story: from TALYS model parameters to validation on the ASPIS benchmark with the Monte-Carlo code TRIPOLI-4
Iron is a widespread structural material in nuclear applications. However some benchmark studies show that for many libraries, including TENDL-2019, producing good iron evaluations is still an open challenge. This work aims at improving TENDL-2019 {sup 56}Fe and {sup 54}Fe evaluations through feedbacks from experimental data and Monte Carlo results of the iron benchmark ASPIS. Part of the T6 code infrastructure was used to produce the evaluations. In the new evaluations, particular attention to resonance parameters and formalism was paid to address the importance of elastic scattering. The total inelastic scattering and inelastic continuum cross sections were shaped by modifying the input parameters of TALYS, one of the T6 codes. Additionally, it was necessary to normalise some reaction channels to those of JENDL-4.0. With the new files ASPIS results, obtained with the Monte Carlo code TRIPOLI-4, improved noticeably compared to TENDL 2019. The evaluations and parameter setting modifications are to be included into TENDL-2021. (authors)
Microseismic at HFTS2: A Story of Three Stimulated Wells
A microseismic data set was acquired at Hydraulic Fracturing Test Site 2 (HFTS2) in the Delaware Basin (Texas, USA) by the HFTS2 consortium as a part of data-collection program designed to help maximize the efficiency of hydraulic fracturing, understand the impacts of nearby depleted zones, and increase the production of hydrocarbons. Advanced methods of microseismic monitoring applied at HFTS2 include 1) native synchronization of five monitor arrays, 2) real-time location of microseismic events, 3) joint event hypocenter/ velocity-model inversion that locates microseismic events simultaneously with constructing azimuthally anisotropic velocity models, 4) high-resolution reservoir imaging, utilizing microseismic events as downhole sources. HFTS2 microseismic data set illustrated the influence of geologic complexity, variations in treatment designs, and the presence of parent wells on the efficiency of hydraulic fracturing. Three Wolfcamp wells, Boxwood 1H, 2H, and 4H, were stimulated sequentially, exhibiting very different patterns of microseismicity. When the Boxwood 1H well is stimulated, its toe stages quickly reacted to the presence of depleted Bitterroot section to the east of the Boxwood pad, extending microseismic events over 3,000 ft to the east. This behavior changes dramatically after the treatment passes the Bitterroot section at the toe, and the heel stages in 1H showed tight microseismic grouping around the stimulated well, indicative of treatment of virgin reservoir rock. The Boxwood 2H demonstrates this same pattern of behavior between the toe and heel stages of the well, suggesting that the depleted Bitterroot section remains easier to refracture than adjacent non-depleted rock. Microseismic activity associated with Boxwood 4H treatment is distinctly different from those in Boxwood wells 1H and 2H. The events generated during stimulation of 4H are hardly influenced by the depleted Bitterroot section and fill the space between the previously stimulated 1H and 2H wells. Altogether, microseismic patterns suggest that treatment fluids tend to find the weakest passages through geologic formations, and the relative well positions and treatment sequence have a significant impact on fracture geometry, as indicated by microseismic event locations.
On exotic consistent anomalies in (1+1)$d$: A ghost story
We revisit ’t Hooft anomalies in (1+1) d d non-spin quantum field theory, starting from the consistency and locality conditions, and find that consistent U(1) and gravitational anomalies cannot always be canceled by properly quantized (2+1) d d classical Chern-Simons actions. On the one hand, we prove that certain exotic anomalies can only be realized by non-reflection-positive or non-compact theories; on the other hand, without insisting on reflection-positivity, the exotic anomalies present a caveat to the inflow paradigm. For the mixed U(1) gravitational anomaly, we propose an inflow mechanism involving a mixed U(1) \times × SO(2) classical Chern-Simons action with a boundary condition that matches the SO(2) gauge field with the (1+1) d d spin connection. Furthermore, we show that this mixed anomaly gives rise to an isotopy anomaly of U(1) topological defect lines. The isotopy anomaly can be canceled by an extrinsic curvature improvement term, but at the cost of creating a periodicity anomaly. We survey the holomorphic bc b c ghost system which realizes all the exotic consistent anomalies, and end with comments on a subtlety regarding the anomalies of finite subgroups of U(1).
Visit Lab’s new Trinity website for videos, posters, stories and more
History was made 75 years ago today. In the early morning hours, Los Alamos scientists, engineers, and staff successfully detonated the Gadget – a plutonium, implosion-type nuclear weapon – in the New Mexico desert during the Trinity Test on July 16, 1945. Weeks later, World War II ended and, today, Trinity’s scientific legacy endures. Watch, read and learn how Los Alamos changed the world. Visit the Lab’s new website int.lanl.gov/trinity.
A spy among the trees: The story of Oscar Seborer
It’s long been known that during World War II, Theodore “Ted” Hall, Klaus Fuchs and David Greenglass committed espionage at Los Alamos. Each worked at the secret laboratory charged with creating the world’s first atomic bomb, stole classified weapons information and shared it with the Soviet Union. Just recently, though, in September 2019, historians confirmed a fourth wartime spy: Oscar Seborer. But who was he, what do we know about him, what did he steal, and what happened to him?
76th anniversary of Trinity test Dawn of the Atomic Age commemorated with new stories, plus printable posters
In the early morning hours 76 years ago, Los Alamos scientists, engineers, and staff successfully detonated The Gadget — a plutonium, implosion-type nuclear weapon — in the New Mexico desert during the Trinity Test on July 16, 1945.
Celebrate Valentine’s Day with Three Early Lab Love Stories
This Valentine’s Day revel in several remarkable relationships that occurred leading up to and during the Manhattan Project, the United States government’s effort to build the atomic bomb and help end World War II. Further details of the lives and work of early Lab staff can be found in the legacy collections housed at the National Security Research Center, LANL’s classified library and curator of unclassified legacy items.
The Story of HDF5 in High Energy Physics
For several years now, Fermilab has been investigating the use of HDF5 for large-scale analysis of experimental high energy physics (HEP) data.
Co-processing Part 3: LANL Studies Quicker Method to Identify Renewable Carbon Percentages in Fuel Blends [Success Story]
Upgrading bio-oils with petroleum feedstocks at existing refineries—known as “co-processing”—could offer a fast pathway for lowering the carbon footprint of today’s transportation fuels. With equipment and infrastructure already in place, more than 100 refineries across the country are equipped to integrate bio-oil into their processes. But just where might companies insert sustainable bio-oils into existing refinery systems like fluid catalytic crackers and hydrotreaters? If successful, just how much of that renewable or “green” carbon makes it into final fuel products? In this three-part blog series, the National Renewable Energy Laboratory (NREL), Pacific Northwest National Laboratory (PNNL), and Los Alamos National Laboratory (LANL) offer insights into these pressing coprocessing questions—and others—amid the push to dramatically expand the production of climate-friendly fuels. Read part 1 and part 2.