Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Directed evolution”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 811 records · Page 45

Quantum information approach to high energy interactions

High energy hadron interactions are commonly described by using a probabilistic parton model that ignores quantum entanglement present in the light-cone wave functions. Here, we argue that since a high energy interaction samples an instant snapshot of the hadron wave function, the phases of different Fock state wave functions cannot be measured—therefore the light-cone density matrix has to be traced over these unobservable phases. Performing this trace with the corresponding U(1) Haar integration measure leads to ‘Haar scrambling’ of the density matrix, and to the emergence of entanglement entropy. This entanglement entropy is determined by the Fock state probability distribution, and is thus directly related to the parton structure functions. As proposed earlier, at large rapidity η the hadron state becomes maximally entangled, and the entanglement entropy is S E ~η according to QCD evolution equations. When the phases of Fock state components are controlled, for example in spin asymmetry measurements, the Haar average cannot be performed, and the probabilistic parton description breaks down.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Long-range magnetic order induced surface state in GdBi and DyBi

The recent discovery of unconventional surface-state pairs, which give rise to Fermi arcs and spin textures, in antiferromagnetically ordered rare-earth monopnictides attracted the interest in these materials. Here, we use angle-resolved photoemission spectroscopy measurements in conjunction with density functional theory calculations to investigate the evolution of the electronic structure of GdBi and DyBi. We find that new surface states, including a Dirac cone, emerge in the antiferromagnetic (AFM) state. However, they are located along a direction in momentum space that is different than what was found in NdSb, NdBi, and CeBi. The observed changes in the electronic structure are consistent with the presence of AFM-II-A type order.

36 MATERIALS SCIENCE↗

Pathways from a chiral superconductor to a composite Fermi liquid

Recent experiments have reported chiral time-reversal broken superconductivity in n-layer rhombohedral graphene for n=4,5,6. Introducing a moiré potential by alignement with a hexagonal boron nitride substrate suppresses the superconductivity but leads instead to various fractional quantum anomalous Hall phenomena. Motivated by these observations, we consider the fate of the phase transition between (a chiral) Landau Fermi liquid (LFL) metal and a Composite Fermi Liquid (CFL) metal in the presence of attractive interactions. These are parent states, respectively, for the superconductor and the fractional quantum Hall states. For weak attractive interactions, the LFL is usually unstable to superconductivity while the CFL is stable. This raises the possibility of a direct continuous phase transition between the chiral superconductor and the CFL. However, we show that generically the LFL close to the transition to the CFL is stable against superconductivity. Furthermore the evolution between the CFL and chiral superconductor goes through an intermediate stable LFL phase for weak attractive interactions. With stronger interactions, the evolution can instead go through a non-Abelian paired quantum Hall state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Portuguese Wood Pellets Market: Organization, Production and Consumption Analysis

Wood pellets are a form of energy that can be seen as an alternative to fossil fuels, thus contributing to the reduction of greenhouse gas emissions. In other words, wood pellets can be considered a solution contributing to the mitigation of climate change. The use of wood pellets has grown significantly in recent years, with different markets emerging, such as Portugal, both from production and consumption perspectives. The wood pellet industry in Portugal began its development about 15 years ago, with the companies installed in the country initially almost exclusively dedicated to the production of wood pellets for export to central and northern European markets. However, over the years, the domestic market, initially considered insignificant, began to develop; it recently reached a considerable consuming share of the national production. This study presents an analysis of the Portuguese wood pellet market using data collected on the sector, and specifically on producers and consumers. The information was gathered using surveys presented directly to consumers and producers and through interviews with other stakeholders in the sector. From the analysis of the information, it was possible to understand the market’s dynamics, its current evolution and its prospects for the upcoming years, since it can already be considered mature and consolidated.

Nunes, Leonel J. R. (ORCID:0000000154048163)↗

The International Virus Bioinformatics Meeting 2020

The International Virus Bioinformatics Meeting 2020 was originally planned to take place in Bern, Switzerland, in March 2020. However, the COVID-19 pandemic put a spoke in the wheel of almost all conferences to be held in 2020. After moving the conference to 8–9 October 2020, we got hit by the second wave and finally decided at short notice to go fully online. On the other hand, the pandemic has made us even more aware of the importance of accelerating research in viral bioinformatics. Advances in bioinformatics have led to improved approaches to investigate viral infections and outbreaks. The International Virus Bioinformatics Meeting 2020 has attracted approximately 120 experts in virology and bioinformatics from all over the world to join the two-day virtual meeting. Despite concerns being raised that virtual meetings lack possibilities for face-to-face discussion, the participants from this small community created a highly interactive scientific environment, engaging in lively and inspiring discussions and suggesting new research directions and questions. The meeting featured five invited and twelve contributed talks, on the four main topics: (1) proteome and RNAome of RNA viruses, (2) viral metagenomics and ecology, (3) virus evolution and classification and (4) viral infections and immunology. Further, the meeting featured 20 oral poster presentations, all of which focused on specific areas of virus bioinformatics. This report summarizes the main research findings and highlights presented at the meeting.

59 BASIC BIOLOGICAL SCIENCES↗

Merger Response of Halo Anisotropy Properties

Anisotropy properties—halo spin, shape, position offset, velocity offset, and orientation—are an important family of dark matter halo properties that indicate the level of directional variation of the internal structures of halos. These properties reflect the dynamical state of halos, which in turn depends on the mass assembly history. In this work, we study the evolution of anisotropy properties in response to merger activity using the IllustrisTNG simulations. We find that the response trajectories of the anisotropy properties significantly deviate from secular evolution. These trajectories have the same qualitative features and timescales across a wide range of merger and host properties. We propose explanations for the behavior of these properties and connect their evolution to the relevant stages of merger dynamics. We measure the relevant dynamical timescales. We also explore the dependence of the strength of the response on time of merger, merger ratio, and mass of the main halo. These results provide insight into the physics of halo mergers and their effects on the statistical behavior of halo properties. This study paves the way toward a physical understanding of scaling relations, particularly to how systematics in their scatter are connected to the mass assembly histories of halos.

79 ASTRONOMY AND ASTROPHYSICS↗

The Science of Scientific Software Development and Use

Increasingly powerful and affordable computing has revolutionized scientific and scholarly discovery across a broad range of fields. Computing relies on software, which has been rapidly growing in scope, diversity, and complexity. At the same time, the methods, processes, and tools used to produce and utilize this essential software are often ad hoc, and the study and improvement of them is often done without the benefit of direct funding or prioritization. Consequently, concerns are growing about the productivity of the developers and users of scientific software, its sustainability, and the trustworthiness of the results that it produces. The US Department of Energy Office of Science (DOE-SC) is at the forefront of modern software-enabled scientific discovery across numerous areas of computational, experimental, and observational science, including major investments in national user facilities that support these activities. In December 2021, the DOE-SC Office of Advanced Scientific Computing Research (ASCR) convened a workshop on basic research needs for the Science of Scientific Software Development and Use (SSSDU). Through keynote presentations, lightning talks, and breakout groups, participants discussed the current practice of software development, maintenance, evolution, and use, and considered how the scientific method could be used to examine these practices and develop more evidence-based approaches to enhance the impact of software and computing on all areas of science. Workshop participants identified three priority research directions (PRDs) and three important crosscutting themes that center on the following overarching insight: software has become an essential part of modern science that impacts new discovery, policy, and technological development. To have full confidence in science delivered via software, we must improve the processes and tools that help us create and use it, and this enhancement requires a deep understanding of the diverse array of teams and individuals doing the work. The full workshop report will be available at https://doi.org/10.2172/1846009.

97 MATHEMATICS AND COMPUTING↗

Shape-preserving amorphous-to-crystalline transformation of CaCO3 revealed by in situ TEM

Organisms use inorganic ions and macromolecules to regulate crystallization from amorphous- precursors, endowing natural biominerals with complex morphologies and enhanced properties. The mechanisms by which modifiers enable these shape preserving transformations are poorly understood. We used in situ liquid-phase transmission electron microscopy to follow the evolution from amorphous calcium carbonate to calcite in the presence of additives. A combination of contrast analysis and infrared spectroscopy shows that Mg ions, which are widely present in seawater and biological fluids, alter the transformation pathway in a concentration-dependent manner. The ions bring excess (structural) water into the amorphous bulk so that a direct transformation is triggered by dehydration in the absence of morphological changes. Molecular dynamics simulations suggest Mg-incorporated water induces structural fluctuations, allowing transformation without the need to nucleate a separate crystal. Thus, the obtained calcite retains the original morphology of the amorphous state, biomimetically achieving the morphological control of crystals seen in biominerals

crystallization, biomineralization, calcium carbon↗

Sequence Length of HIV-1 Subtype B Increases over Time: Analysis of a Cohort of Patients with Hemophilia over 30 Years

We aimed to investigate whether the sequence length of HIV-1 increases over time. We performed a longitudinal analysis of full-length coding region sequences (FLs) during an HIV-1 outbreak among patients with hemophilia and local controls infected with the Korean subclade B of HIV-1 (KSB). Genes were amplified by overlapping RT-PCR or nested PCR and subjected to direct sequencing. Overall, 141 FLs were sequentially determined over 30 years in 62 KSB-infected patients. Phylogenetic analysis indicated that within KSB, two FLs from plasma donors O and P comprised two clusters, together with 8 and 12 patients with hemophilia, respectively. Signature pattern analysis of the KSB of HIV-1 revealed 91 signature nucleotide residues (1.1%). In total, 48 and 43 signature nucleotides originated from clusters O and P, respectively. Six positions contained 100% specific nucleotide(s) in clusters O and P. In-depth FL analysis for over 30 years indicated that the KSB FL significantly increased over time before combination antiretroviral therapy (cART) and decreased with cART. This increase occurred due to the significant increase in env and nef genes, originating in the variable regions of both genes. The increase in sequence length of HIV-1 over time suggests an evolutionary direction.

59 BASIC BIOLOGICAL SCIENCES↗

Cloudy-sky contributions to the direct aerosol effect

The radiative forcing of the aerosol–radiation interaction can be decomposed into clear-sky and cloudy-sky portions. Two sets of multi-model simulations within Aerosol Comparisons between Observations and Models (AeroCom), combined with observational methods, and the time evolution of aerosol emissions over the industrial era show that the contribution from cloudy-sky regions is likely weak. A mean of the simulations considered is 0.01±0.1 W m-2. Multivariate data analysis of results from AeroCom Phase II shows that many factors influence the strength of the cloudy-sky contribution to the forcing of the aerosol–radiation interaction. Overall, single-scattering albedo of anthropogenic aerosols and the interaction of aerosols with the short-wave cloud radiative effects are found to be important factors. A more dedicated focus on the contribution from the cloud-free and cloud-covered sky fraction, respectively, to the aerosol–radiation interaction will benefit the quantification of the radiative forcing and its uncertainty range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advancing Cross-Disciplinary Understanding of Land-Atmosphere Interactions

The evolution of disciplinary silos and increasingly narrow disciplinary boundaries have together resulted in one-sided approaches to the study of land-atmosphere interactions—a field that requires a bi-directional approach to understand the complex feedbacks and interactions that occur. The integration of surface flux and atmospheric boundary layer measurements is therefore essential to advancing our understanding. The Land-Atmosphere 2021 workshop (held virtually, June 10-11, 2021) involved almost 300 participants from around the world and promoted cross-discipline collaboration by way of talks from invited speakers, moderated discussions, breakout sessions, and a virtual poster session. The workshop focused on five main theme areas: “big picture” overview, instrumentation and remote sensing, modeling, water, and aerosols and clouds. In talks and breakout groups, there were frequent calls for more AmeriFlux sites to be instrumented for boundary layer height measurements, and for the development of some “super sites” where profiling instruments would be deployed. There was further agreement on the need for the standardization of various datasets. There was also a consensus that funding agencies need to be willing to support the sorts of large projects (including associated instrumentation) which can drive interdisciplinary work. Early-career scientists, in particular, expressed enthusiasm for working across disciplinary boundaries but noted that there need to be more financial support and training opportunities so they would be better prepared for interdisciplinary work. Investment in these career development opportunities would enable today's cohort of early-career scientists to advance the frontiers of interdisciplinary work over the next couple of decades.

54 ENVIRONMENTAL SCIENCES↗

Element-specific ultrafast lattice dynamics in FePt nanoparticles

Light–matter interaction at the nanoscale in magnetic alloys and heterostructures is a topic of intense research in view of potential applications in high-density magnetic recording. While the element-specific dynamics of electron spins is directly accessible to resonant x-ray pulses with femtosecond time structure, the possible element-specific atomic motion remains largely unexplored. We use ultrafast electron diffraction (UED) to probe the temporal evolution of lattice Bragg peaks of FePt nanoparticles embedded in a carbon matrix following excitation by an optical femtosecond laser pulse. The diffraction interference between Fe and Pt sublattices enables us to demonstrate that the Fe mean square vibration amplitudes are significantly larger that those of Pt as expected from their different atomic mass. Both are found to increase as energy is transferred from the laser-excited electrons to the lattice. Contrary to this intuitive behavior, we observe a laser-induced lattice expansion that is larger for Pt than for Fe atoms during the first picosecond after laser excitation. This effect points to the strain-wave driven lattice expansion with the longitudinal acoustic Pt motion dominating that of Fe.

36 MATERIALS SCIENCE↗

An extended trajectory-mechanics approach for calculating two-phase flow paths

A technique originating in quantum dynamics is used to derive a trajectory-based, semi-analytical solution for two-phase flow. The partial differential equation governing the evolution of the aqueous phase is equivalent to a family of ordinary differential equations defined along a path through the porous medium. The trajectories may be found by solving the differential equations directly or by post-processing the output of a numerical solution to the full set of governing equations. The trajectories, which differ from conventional streamlines, are found to bend downward in response to gravitational forces. The curvature is more pronounced as the dip of the porous layer containing the flow increases. Subtle changes in the relative permeability curve can lead to significant variations in the trajectories. The ordinary differential equation for the trajectory provides an expression for the travel time along the path. The expression produces a semi-analytical approximation to the model parameter sensitivities, the partial derivatives of the travel times with respect to changes in the permeability model. The semi-analytical trajectory-based sensitivities generally agree with those computed using a numerical reservoir simulator and a perturbation approach. The sensitivities are useful in tomographic imaging algorithms designed to estimate the spatial variation in permeability within a porous medium using multiphase observations.

58 GEOSCIENCES↗

Pedestal magnetic turbulence measurements in ELMy H-mode DIII-D plasmas by Faraday-effect polarimetry

Internal magnetic fluctuation measurements are utilized to identify turbulence associated with micro-tearing modes (MTM) in the DIII-D Edge-Localized-Mode (ELM)-y H-mode pedestal. Using a Faraday-effect polarimeter, magnetic turbulence (150–500 kHz) is directly observed with a typical line-averaged fluctuation amplitude of ~0.8 G at peak frequency (250 kHz) and ~15 G integrated over the spectrum from 150 to 500 kHz. Frequency, poloidal wavenumber, and propagation direction of the magnetic turbulence all serve to identify as MTM. Magnetic turbulence amplitude non-monotonically correlates with collision frequency, peaks off mid-plane, and correlates with electron temperature gradient evolution between ELMs, consistent with MTM features identified from theory and gyro-kinetic simulation. The magnetic turbulence growth correlates with confinement degradation in ELMy H-mode plasmas during a slow density ramp. In conclusion, these internal measurements provide unique constraints toward developing physics understanding and validating models of the H-mode pedestal for future devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Terahertz nano-imaging of metal-insulator transition in Cd 2 Os 2 O 7

The osmate pyrochlore Cd 2 Os 2 O 7 supports an antiferromagnet insulator ground state with an all-in/all-out (AIAO) spin ordering at low temperature. Above 225 K, Cd 2 Os 2 O 7 becomes a paramagnetic metal whereas the mechanism of this metal-to-insulator transition (MIT) remains elusive. In this letter, we use cryogenic near-field technique operating at terahertz frequencies to study the evolution of low-energy response across the MIT. We observed a systematic variation of the magnitude of nano-THz signal across the transition, consistent with the trend in the direct-current conductivity. Conducting domain walls that dominate the nano-scale landscape of the conductivity of a closely related AIAO system Nd 2 Ir 2 O 7 are not apparent in Cd 2 Os 2 O 7

36 MATERIALS SCIENCE↗

Evaluation of Engineered Barrier Systems (FY19 Report)

This report describes research and development (R&D) activities conducted during fiscal year 2019 (FY19) specifically related to the Engineered Barrier System (EBS) R&D Work Package in the Spent Fuel and Waste Science and Technology (SFWST) Campaign supported by the United States (U.S.) Department of Eneregy (DOE). The R&D activities focus on understanding EBS component evolution and interactions within the EBS, as well as interactions between the host media and the EBS. A primary goal is to advance the development of process models that can be implemented directly within the Genreric Disposal System Analysis (GDSA) platform or that can contribute to the safety case in some manner such as building confidence, providing further insight into the processes being modeled, establishing better constraints on barrier performance, etc.The FY19 EBS activities involved not only modeling and analysis work, but experimental work as well. The report documents the FY19 progress made in seven different research areas as follows: (1) thermal analysis for the disposal of dual purpose canisters (DPCs) in sedimentary host rock using the semianalytical method, (2) tetravalent uranium solubility and speciation, (3) modeling of high temperature, thermal-hydrologic-mechanical-chemical (THMC) coupled processes, (4) integration of coupled thermalhydrologic- chemical (THC) model with GDSA using a Reduced-Order Model, (5) studying chemical controls on montmorillonite structure and swelling pressure, (6) transmission x-ray microscope for in-situ nanotomography of bentonite and shale, and (7) in-situ electrochemical testing of uranium dioxide under anoxic conditions. The R&D team consisted of subject matter experts from Sandia National Laboratories, Lawrence Berkeley National Laboratory (LBNL), Los Alamos National Laboratory (LANL), Pacific Northwest National Laboratory (PNNL), the Bureau de Recherches Géologiques et Minières (BRGM), the University of California Berkeley, and Mississippi State University. In addition, the EBS R&D work leverages international collaborations to ensure that the DOE program is active and abreast of the latest advances in nuclear waste disposal. For example, the FY19 work on modeling coupled THMC processes at high temperatures relied on the bentonite properties from the Full-scale Engineered Barrier EXperiment (FEBEX) Field Test conducted at the Grimsel Test Site in Switzerland. Overall, significant progress has been made in FY19 towards developing the modeling tools and experimental capabilities needed to investigate the performance of EBS materials and the associated interactions in the drift and the surrounding near-field environment under a variety of conditions including high temperature regimes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

FY21 Report on Activities for EBS International

This report summarizes the FY21 Activities for EBS International Collaborations Work Package. The international collaborations work packages aim to leverage knowledge, expertise, and tools from the international nuclear waste community, as deemed relevant according to SFWST “roadmap” priorities. This report describes research and development (R&D) activities conducted during fiscal year 2021(FY21) specifically related to the Engineered Barrier System (EBS) R&D Work Package in the Spent Fuel and Waste Science and Technology (SFWST) Campaign supported by the United States (U.S.) Department of Energy (DOE). It fulfills the SFWST Campaign deliverable M4SF- 21SN010308062. The R&D activities described in this report focus on understanding EBS component evolution and interactions within the EBS, as well as interactions between the host media and the EBS. A primary goal is to advance the development of process models that can be implemented directly within the Generic Disposal System Analysis (GDSA) platform or that can contribute to the safety case in some manner such as building confidence, providing further insight into the processes being modeled, establishing better constraints on barrier performance, etc. Sandia National Laboratories is participating in THM modeling in the international projects EBS Task Force and DECOVALEX 2023. EBS Task Force, Task 11 is on modeling of laboratory-scale High Temperature Column Test conducted at Lawrence Berkeley National Laboratory. DECOVALEX 2023, Task C is on THM modeling of the full-scale emplacement experiment (FE experiment) at the Mont Terri Underground Rock Laboratory, Switzerland. This report summarizes Sandia’s progress in the modeling studies of DECOVALEX 2023, Task C. Modeling studies related to the High Temperature Column Test will be documented in future reports.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Evaluation of Engineered Barrier Systems FY21 Report

This report describes research and development (R&D) activities conducted during fiscal year 2021 (FY21) specifically related to the Engineered Barrier System (EBS) R&D Work Package in the Spent Fuel and Waste Science and Technology (SFWST) Campaign supported by the United States (U.S.) Department of Energy (DOE). The R&D activities focus on understanding EBS component evolution and interactions within the EBS, as well as interactions between the host media and the EBS. A primary goal is to advance the development of process models that can be implemented directly within the Generic Disposal System Analysis (GDSA) platform or that can contribute to the safety case in some manner such as building confidence, providing further insight into the processes being modeled, establishing better constraints on barrier performance, etc.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗