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At least 19 records

Carbon-Type Analysis and Comparison of Original and Reblended FACE Diesel Fuels (FACE 2, FACE 4, and FACE 7)

This report summarizes the carbon-type analysis from 1H and 13C{1H} nuclear magnetic resonance spectroscopy (NMR) of Fuels for Advanced Combustion Engines (FACE) diesel blends, FD-2B, FD 4B, and FD-7B, and makes comparison of the new blends with the original FACE diesel blends, FD 2A, FD 4A, and FD-7A, respectively. Generally, FD-2A and FD-2B are more similar than the A and B blends of FD-4 and FD-7. The aromatic carbon content is roughly equivalent, although the new FACE blends have decreased monoaromatic content and increased di- and tri-cycloaromatic content, as well as a higher overall aromatic content, than the original FACE blends. The aromatic components of the new FACE blends generally have a higher alkyl substitution with longer alkyl substituents. The naphthenic and paraffinic contents remained relatively consistent. Based on aliphatic methyl and methylene carbon ratios, cetane numbers for FD-2A and -2B, and FD-7A and -7B are predicted to be consistent, while the cetane number for FD-4B is predicted to be higher than FD-4A. Overall, the new FACE fuel blends are fairly consistent with the original FACE fuel blends, but there are observable differences. In addition to providing important comparative compositional information on reformulated FACE diesel blends, this report also provides important information about the capabilities of the team at Pacific Northwest National Laboratory in the use of NMR spectroscopy for the detailed characterization and comparison of fuels and fuel blends.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Face recognition system and method using face pattern words and face pattern bytes

The present invention provides a novel system and method for identifying individuals and for face recognition utilizing facial features for face identification. The system and method of the invention comprise creating facial features or face patterns called face pattern words and face pattern bytes for face identification. The invention also provides for pattern recognitions for identification other than face recognition. The invention further provides a means for identifying individuals based on visible and/or thermal images of those individuals by utilizing computer software implemented by instructions on a computer or computer system and a computer readable medium containing instructions on a computer system for face recognition and identification.

97 MATHEMATICS AND COMPUTING↗

E-PiPEline: Quick to Market Face Coverings and Face Shields Using Commonly Available Materials

The Center for Disease Control has recommended that the public should wear cloth face coverings in public settings. Face coverings and face shields can be made by using Commonly Available Materials (CAMs). As part of the Sandia COVID-19 LDRD effort (funded under the Materials Science Investment Area), the Sandia E-PiPEline task evaluated design options for face coverings and face shields considering their effectiveness, durability, build difficulty, build cost, and comfort. Observations from this investigation are presented here to provide guidelines for home construction of face coverings and face shields. This executive summary includes a brief roadmap of the analysis methodology, two one-page handouts geared to be distributed to the public at large (one for face coverings and one for face shields), and additional observations regarding potential solutions for face coverings and face shields included to further support the one-page handouts.

59 BASIC BIOLOGICAL SCIENCES↗

E-PiPEline: Face Shields and Face Coverings Using Commonly Available Materials

The Center for Disease Control has recommended that the public should wear cloth face coverings in public settings . Face coverings and face shields can be made by using Commonly Available Materials (CAMs). As part of the Sandia COVID - 19 LDRD effort (funded under the Materials Science Investment Area), the Sandia E - PiPEline task evaluated design options for face coverings and face shields considering their effectiveness, durability, build difficulty, build cost, and comfort. Observations from this investigation are presented here to provide guidelines for home construction of face coverings and face shields

54 ENVIRONMENTAL SCIENCES↗

Compositional effects on the ignition of FACE gasolines [Compositional effects on the ignition of FACE gasoline fuels: experiments, surrogate fuel formulation, and chemical kinetic modeling]

As regulatory measures for improved fuel economy and decreased emissions are pushing gasoline engine combustion technologies towards extreme conditions (i.e., boosted and intercooled intake with exhaust gas recirculation), fuel ignition characteristics become increasingly important for enabling stable operation. Here, this study explores the effects of chemical composition on the fundamental ignition behavior of gasoline fuels. Two well-characterized, high-octane, non-oxygenated FACE (Fuels for Advanced Combustion Engines) gasolines, FACE F and FACE G, having similar antiknock indices but different octane sensitivities and chemical compositions are studied. Ignition experiments were conducted in shock tubes and a rapid compression machine (RCM) at nominal pressures of 20 and 40 atm, equivalence ratios of 0.5 and 1.0, and temperatures ranging from 650 to 1270 K. Results at temperatures above 900 K indicate that ignition delay time is similar for these fuels. However, RCM measurements below 900 K demonstrate a stronger negative temperature coefficient behavior for FACE F gasoline having lower octane sensitivity. In addition, RCM pressure profiles under two-stage ignition conditions illustrate that the magnitude of low-temperature heat release (LTHR) increases with decreasing fuel octane sensitivity. However, intermediate-temperature heat release is shown to increase as fuel octane sensitivity increases. Various surrogate fuel mixtures were formulated to conduct chemical kinetic modeling, and complex multicomponent surrogate mixtures were shown to reproduce experimentally observed trends better than simpler two- and three-component mixtures composed of n-heptane, iso-octane, and toluene. Measurements in a Cooperative Fuels Research (CFR) engine demonstrated that the multicomponent surrogates accurately captured the antiknock quality of the FACE gasolines. Simulations were performed using multicomponent surrogates for FACE F and G to reveal the underlying chemical kinetics linking fuel composition with ignition characteristics. Finally, a key discovery of this work is the kinetic coupling between aromatics and naphthenes, which affects the radical pool population and thereby controls ignition.

02 PETROLEUM↗

Lateral Water Structure Connects Metal Oxide Nanoparticle Faces

When a metal oxide surface is immersed in aqueous solution, it has the ability to bind, orient, and order interfacial water, affecting both chemical and physical interactions with the surface. Structured interfacial water thus possesses time-averaged, spatially varying polarization charge and potential that are comparable to those arising due to ion accumulation. It is well established that interfacial water structure propagates from the surface into bulk solution. Here, we show that interfacial water structure also propagates laterally, with important consequences. The constant pH molecular dynamics was used to impose a pH difference between opposite faces of a model goethite (a-FeOOH) nanoparticle and quantify water polarization charge on intervening faces. We find that the structure of water on one face is strongly affected by the structure on nearby surfaces, revealing the importance of long-range lateral hydrogen bonding networks with implications for particle aggregation, oriented attachment, and processes such as dissolution and growth.

Zarzycki, Piotr P.↗

Field Performance of South-Facing and East-West Facing Bifacial Modules in the Arctic

This paper presents the first systematic comparison between south-facing monofacial and bifacial photovoltaic (PV) modules, as well as between south-facing bifacial and vertical east-west facing bifacial PV modules in Alaska. The state’s solar industry, driven by the high price of energy and dropping equipment costs, is quickly growing. The challenges posed by extreme sun angles in Alaska’s northern regions also present opportunities for unique system designs. Annual bifacial gains of 21% were observed between side by side south-facing monofacial and bifacial modules. Vertical east-west bifacial modules had virtually the same annual production as south-facing latitude tilt bifacial modules, but with different energy production profiles.

14 SOLAR ENERGY↗

Growth Kinetics and Morphology of Barite Crystals Derived from Face-Specific Growth Rates

Here we investigate the growth kinetics and morphology of barite (BaSO 4 ) crystals by measuring the growth rates of the (001), (210), (010), and (100) surfaces using vertical scanning interferometry. Solutions with saturation indices 1.1, 2.1, and 3.0 without additional electrolyte, in 0.7 M NaCl, or in 1.3 mM SrCl2 are investigated. Face-specific growth rates are inhibited in the SrCl 2 solution relative to a solution without electrolyte, except for (100). Contrarily, growth of all faces is promoted in the NaCl solution. The variation of face-specific rates is solution-specific, which leads to a. change of the crystal morphology and overall growth rate of crystals. The measured face-specific growth rates are used to model the growth of single crystals. Modeled crystals have a morphology and size similar to those grown from solution. Based on the model the time dependence of surface area and growth rates is analyzed. Growth rates change with time due to surface area normalization for small crystals and large growth intervals. By extrapolating rates to crystals with large surfaces areas, time-independent growth rates are 0.783, 2.96, and 0.513 mmol∙m -2 ∙h -1 , for saturation index 2.1 solutions without additional electrolyte, NaCl, and SrCl 2 , respectively.

36 MATERIALS SCIENCE↗

MO-DE-BRA-05: EUTEMPE-RX: Combining E-Learning and Face-To-Face Training to Build Expert Knowledge, Skills and Competences for Medical Physicists in Diagnostic and Interventional Radiology

Purpose: In 2013, the EURATOM authorities of the European Commission decided to support the Horizon2020 project submission ‘EUTEMPE-RX’ that aimed for a new set of course modules to train medical physicists in diagnostic and interventional radiology to expert level with small group deep learning. Each module would consist of 2 phases: an e-learning and a face-to-face phase, each phase requiring typically 40h of participant time. Methods: The European Federation (EFOMP) and 13 European partners, all of them selected for their excellent scientific and/or educational skills, led the 12 course modules. A quality manual ensured the quality of course content and organization. Educational workshops familiarized the teachers with e-learning techniques and methods for assessment. Content was set in accordance with the EC document RP174 that lists learning outcomes in terms of knowledge, skills and competences (KSCs) for different specialties and levels of medical physics. Surveys for stake holder satisfaction were prepared. Results: Today the course modules are being realized. The modules cover most of the KSCs in RP174 document. Teachers have challenged the participants with unique tasks: case studies in medical physics leadership, Monte Carlo simulation of a complete x-ray imaging chain, development of a task specific QA protocol, compilation of optimization plans, simulation tasks with anthropomorphic breast models, etc. Participants undertook practical sessions in modern hospitals and visited a synchrotron facility, a calibration lab, screening organizations, etc. Feedback form quality surveys was very positive and constructive. A sustainability plan has been worked out. Conclusion: The modules have enabled the participants to develop their KSCs and cope with challenges in medical physics. The sustainability plan will be implemented to continue the unique combined e-learning and face to face training at high level training in diagnostic and interventional radiology also beyond Europe. The EUTEMPE-RX project is funded by the Horizon2020 - EURATOM program of the European Commission.

60 APPLIED LIFE SCIENCES↗

Unlocking Li superionic conductivity in face-centred cubic oxides via face-sharing configurations

Oxides with a face-centred cubic (fcc) anion sublattice are generally not considered as solid-state electrolytes as the structural framework is thought to be unfavourable for lithium (Li) superionic conduction. Here we demonstrate Li superionic conductivity in fcc-type oxides in which face-sharing Li configurations have been created through cation over-stoichiometry in rocksalt-type lattices via excess Li. We find that the face-sharing Li configurations create a novel spinel with unconventional stoichiometry and raise the energy of Li, thereby promoting fast Li-ion conduction. The over-stoichiometric Li–In–Sn–O compound exhibits a total Li superionic conductivity of 3.38 × 10 -4 S cm -1 at room temperature with a low migration barrier of 255 meV. Our work unlocks the potential of designing Li superionic conductors in a prototypical structural framework with vast chemical flexibility, providing fertile ground for discovering new solid-state electrolytes.

36 MATERIALS SCIENCE↗

ORNL FACE Tree Height, with data on height of a subset of trees measured every year, 1997-2009. Free-Air CO2 Enrichment (FACE) Experiment Synthesis Activities.

Height of 20 sweetgum trees in three rows of each of the plots in the Oak Ridge National Laboratory (ORNL) free-air CO2 enrichment (FACE) experiment was measured each year of the experiment (1997-2009). The trees were exposed to ambient or elevated CO2. Tree height data contribute to the overall project objectives to determine the integrated response of a deciduous forest to elevated CO2. Average tree height per plot was used in allometric equations to calculate tree dry mass each year and to test whether there were effects of elevated CO2 on canopy development. Height was derived from trigonometric calculation from measurements of horizontal distance of observer from the bole and the angles from observer’s eye to top and base of tree, using a Haglof sonic hypsometer. The data are presented in a csv file, with plot number in the first column, tree number in the second column, and height recorded to 0.1 m in 1997 to 2009 in remaining columns. Plots 1 and 2 had elevated CO2, and plots 3-5 were in ambient CO2. Missing data occur after the tree died. The experiment and the height measurement are described in: Norby, R. J., D. E. Todd, J. Fults, and D. W. Johnson. 2001. Allometric determination of tree growth in a CO2-enriched sweetgum stand. New Phytologist 150: 477-487. The ORNL FACE experiment is described at: https://richnorby.org/home/face-home/.

54 ENVIRONMENTAL SCIENCES↗

The Path towards Plasma Facing Components: A Review of State-of-the-art in W-Based Refractory High-Entropy Alloys

Developing advanced materials for plasma-facing components (PFCs) in fusion reactors is a crucial aspect for achieving sustained energy production. Tungsten (W) - based refractory high-entropy alloys (RHEAs) have emerged as promising candidates due to their superior radiation tolerance and high-temperature strength. This review paper will focus on recent advancements in W-based RHEA research, particularly emphasizing the key role of modelling using machine learning (ML) in the stage of discovery by predicting properties for each composition and expediting the identification of optimal RHEA compositions with desired properties. Additionally, the application of additive manufacturing (AM) techniques for fabricating W-based RHEAs is explored, highlighting their advantages for rapid prototyping and multi-compositional sample production in a high throughput manner. The review critically evaluates the current understanding of mechanical properties relevant to PFC applications, including high-temperature strength and ductility. Furthermore, the radiation tolerance of W-based RHEAs under irradiated conditions is discussed. Finally, the validity of current AM-manufactured W-based RHEAs as PFC materials is assessed, and key challenges and opportunities for future research are identified. This review aims to provide a comprehensive overview of W-based RHEAs for fusion applications and their potential to guide the development and validation of advanced refractory high entropy alloys.

Hatler, Caleb [University of Wisconsin-Madison]↗

Is Remote Learning as Effective as In-Person Learning for Contouring Education? A Prospective Comparison of Face-to-Face versus Online Delivery of the Anatomy and Radiology Contouring Bootcamp

The Anatomy and Radiology Contouring (ARC) Bootcamp was a face-to-face (F2F) intervention providing integrated education for radiation oncology (RO) residents and medical physicists. To increase access, we launched an online offering in 2019. We evaluated the effect of the online course on participants' knowledge acquisition, contouring skills, and self-confidence by comparing it with the F2F course.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Crystal orientation effects on helium ion depth distributions and adatom formation processes in plasma-facing tungsten

We present atomistic simulations that show the effect of surface orientation on helium depth distributions and surface feature formation as a result of low-energy helium plasma exposure. We find a pronounced effect of surface orientation on the initial depth of implanted helium ions, as well as a difference in reflection and helium retention across different surface orientations. Our results indicate that single helium interstitials are sufficient to induce the formation of adatom/substitutional helium pairs under certain highly corrugated tungsten surfaces, such as (1 1 1)-orientations, leading to the formation of a relatively concentrated layer of immobile helium immediately below the surface. The energies involved for helium-induced adatom formation on (1 1 1) and (2 1 1) surfaces are exoergic for even a single adatom very close to the surface, while (0 0 1) and (0 1 1) surfaces require two or even three helium atoms in a cluster before a substitutional helium cluster and adatom will form with reasonable probability. This phenomenon results in much higher initial helium retention during helium plasma exposure to (1 1 1) and (2 1 1) tungsten surfaces than is observed for (0 0 1) or (0 1 1) surfaces and is much higher than can be attributed to differences in the initial depth distributions alone. The layer thus formed may serve as nucleation sites for further bubble formation and growth or as a source of material embrittlement or fatigue, which may have implications for the formation of tungsten “fuzz” in plasma-facing divertors for magnetic-confinement nuclear fusion reactors and/or the lifetime of such divertors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗