Publications

Results 4951–5000 of 101,000

Search results

Jump to search filters

Lighting up hot stuff

Nature Chemistry

Appelhans, Leah N.

Plasmonic heating by nanoparticles has been used to promote a range of chemical reactions. Now, thermoplasmonic activation has been applied to latent ruthenium catalysts, enabling olefin metathesis initiated by visible and infrared light. Additionally, the desire to harness light to drive chemical transformations has surely existed as long as the study of chemistry itself. In the earliest documented applications, light was used simply as a heat source — for example, in the distillation of liquids. Since that time, our knowledge of how light and matter interact has increased exponentially, with greater mechanistic and molecular understanding enabling modern photochemists to design molecules with a myriad of finely tuned optical properties for catalysis, biochemistry, optoelectronics and more. Nonetheless, the design and optimization of molecules to achieve specific optical properties is still challenging, and for some applications, a return to the ‘simplest’ transformation — that of light to heat — can offer a more efficient approach to achieve light-mediated chemical reactions. Now, writing in Nature Chemistry, Yossi Weizmann and colleagues describe a strategy for organic and polymer synthesis driven by the conversion of light to heat.

More Details

Hardware-in-the-loop Testing of Network Protectors for Low-Voltage Networks with Distributed Energy Resources

Cheng, Zheyuan; Holbach, Juergen; Udren, Eric A.; Hart, David G.; Reno, Matthew J.; Ropp, Michael E.

In this report, we developed and validated a network protector relay digital twin model and interfaced a commonly used network protector relay hardware with our real-time simulation system. Hardware-in-the-loop protection studies are performed to assess the impact of distributed energy resources (DER) and benchmark a rate-of-change-based mitigation strategy. Simulation results suggest that the network protector reverse trip and auto-reclose functions are negatively impacted by the high distributed energy resource penetration. To accommodate DER backfeed while remaining secure and reliable for faults on primary feeders, we recommend options for a rate-of-change-based blocking scheme and a protection setting change. Finally, future mitigation ideas and standard revisions are discussed.

More Details

Tanana River Test Site Model Verification Using the Marine and Hydrokinetic Toolkit (MHKiT)

Energies

Bays, Nathan R.; Olson, Sterling S.; Fao, Rebecca; Keester, Adam J.; Mcvey, James

The marine energy (ME) industry historically lacked a standardized data processing toolkit for common tasks such as data ingestion, quality control, and visualization. The marine and hydrokinetic toolkit (MHKiT) solved this issue by providing a public software deployment (open-source and free) toolkit for the ME industry to store and maintain commonly used functionality for wave, tidal, and river energy. This paper demonstrates an initial model verification study in MHKiT. Using Delft3D, a numerical model of the Tanana River Test Site (TRTS) at Nenana, Alaska was created. Field data from the site was collected using an Acoustic Doppler Current Profiler (ADCP) at the proposed Current Energy Converter (CEC) locations. MHKiT is used to process model simulations from Delft3D and compare them to the transect data from the ADCP measurements at TRTS. The ability to use a single tool to process simulation and field data demonstrates the ease at which the ME industry can obtain results and collaborate across specialties, reducing errors and increasing efficiency.

More Details

Lignin deconstruction by anaerobic fungi

Nature Microbiology

Lankiewicz, Thomas S.; Choudhary, Hemant; Gao, Yu; Amer, Bashar; Lillington, Stephen P.; Leggieri, Patrick A.; Brown, Jennifer L.; Swift, Candice L.; Lipzen, Anna; Na, Hyunsoo; Amirebrahimi, Mojgan; Theodorou, Michael K.; Baidoo, Edward E.K.; Barry, Kerrie; Grigoriev, Igor V.; Timokhin, Vitaliy I.; Gladden, John M.; Singh, Seema S.; Mortimer, Jenny C.; Ralph, John; Simmons, Blake A.; Singer, Steven W.; O'Malley, Michelle A.

Lignocellulose forms plant cell walls, and its three constituent polymers, cellulose, hemicellulose and lignin, represent the largest renewable organic carbon pool in the terrestrial biosphere. Insights into biological lignocellulose deconstruction inform understandings of global carbon sequestration dynamics and provide inspiration for biotechnologies seeking to address the current climate crisis by producing renewable chemicals from plant biomass. Organisms in diverse environments disassemble lignocellulose, and carbohydrate degradation processes are well defined, but biological lignin deconstruction is described only in aerobic systems. It is currently unclear whether anaerobic lignin deconstruction is impossible because of biochemical constraints or, alternatively, has not yet been measured. We applied whole cell-wall nuclear magnetic resonance, gel-permeation chromatography and transcriptome sequencing to interrogate the apparent paradox that anaerobic fungi (Neocallimastigomycetes), well-documented lignocellulose degradation specialists, are unable to modify lignin. We find that Neocallimastigomycetes anaerobically break chemical bonds in grass and hardwood lignins, and we further associate upregulated gene products with the observed lignocellulose deconstruction. These findings alter perceptions of lignin deconstruction by anaerobes and provide opportunities to advance decarbonization biotechnologies that depend on depolymerizing lignocellulose.

More Details

Confidence Assessment for Automatic Target Recognition

Richards, John A.

Confidence assessment is critical for effective automatic target recognition (ATR). Productive use and interpretation of ATR results by analysts or downstream algorithms requires not only algorithmic declarations of target presence and identity, but also algorithmic assessment of the certainty of those declarations in comparison to the certainties of alternative target-identity possibilities. Unfortunately, despite its importance, confidence assessment is an understudied, underdeveloped, and often-neglected function of ATR systems. This lack of regard stems not only from the difficulty of accurate algorithmic determination of target-identity certainty, but also from a general lack of understanding and careful consideration about what confidence should actually represent. We present a framework for confidence assessment that establishes a clear definition of confidence and provides a straightforward theoretical basis for its calculation. This framework is grounded in a hypothesis-theoretic consideration of ATR and it springs from from a handful of axiomatic principles concerning the nature and meaning of confidence in this context. This framework establishes a rigorous mathematical definition of confidence and it provides equations relating confidence to other information that is almost always provided by ATRs. We present an approach for computing confidence within this framework, using an advance process of ATR characterization followed by a simple computation at the time of ATR execution. We discuss practical difficulties with our approach, and we suggest methods for effective mitigation of these difficulties in implemented systems.

More Details

A Thermodynamic Model for Nd(III)–Sulfate Interaction at High Ionic Strengths and Elevated Temperatures: Applications to Rare Earth Element Extraction

Journal of Solution Chemistry

Xiong, Yongliang; Xu, Guangping; Wang, Yifeng

Neodymium (Nd), a rare earth element (REE), is critical to numerous industries. Neodymium can be extracted from ore concentrates, waste materials, or recycled materials such as recycled Nd-Fe-B permanent magnets. In a standard process, concentrated sulfuric acid (H2SO4) is used as an extraction/leaching agent. Therefore, knowledge of Nd(III)–sulfate interaction at high ionic strengths is important for optimization of the extraction process. In addition, sulfate is also a major species in natural surface waters and present in nuclear waste streams. Nd(III) has been used a chemical analog to trivalent actinides in nuclear waste research and development. Consequently, knowledge of Nd(III)-sulfate interactions is also impactful to the field of nuclear waste management. In this study, we have developed a thermodynamic model that can describe the interaction of Nd(III) with sulfate to ionic strengths up to ~ 16.5 mol·kg–1 and to temperatures up to 100 °C. The model adopts the Pitzer formulation to describe activity coefficients of aqueous species. This model can be used to design and optimize a chemical process for REE recovery from ore concentrates, recycled materials, and acid mine drainage (AMD) and to understand the mobility of REEs and actinides in the environment.

More Details

An $\bar{F}$ Meshfree Treatment for Nearly Incompressible Materials

Schlinkman, Ryan T.; Beckwith, Frank; Tupek, Michael R.

The computational modeling of nearly incompressible materials is a difficult task for many numerical methods, and even after several decades of investigation, it is still an active research area. This report seeks to address the treatment of incompressible materials in meshfree methods using a synergistic combination of two treatments. The first treatment is an $\bar{F}$ method, where the decomposed dilatational and deviatoric parts are calculated over different smoothing domains. The second treatment “activates” additional nodes throughout the domain to increase the flexibility of the model. We implement this synergistic combination in the context of the reproducing kernel particle method (RKPM) and present results for the Cook’s membrane benchmark problem. The results are compared with those using the composite tet10 finite element with a volume-averaged J formulation. We show that the combined treatment is an effective way to deal with nearly incompressible materials in a meshfree framework and compares well with other highly-effective treatments.

More Details

Comparative Study of the Performance of Seismic Waveform Denoising Methods Using Local and Near-Regional Data

Bulletin of the Seismological Society of America

Tibi, Rigobert; Young, Christopher J.; Porritt, Robert W.

Seismic waveform data are generally contaminated by noise from various sources, which interfere with the signals of interest. In this study, we implemented and applied several noise suppression methods using data recorded by the regional network of the University of Utah Seismograph stations. The denoising methods, consisting of approaches based on nonlinear thresholding of continuous wavelet transforms (CWTs, e.g., Langston and Mousavi, 2019), convolutional neural network (CNN) denoising (Tibi et al., 2021), and frequency filtering, were all subjected to the same analyses and level of scrutiny. We found that for frequency filtering, the improvement in signal-to-noise ratio (SNR) decreases quickly with decreasing SNR of the input waveform, and that below an input SNR of about 32 dB the improvement is relatively marginal and nearly constant. In contrast, the SNR gains are low at high-input SNR and increase with decreasing input SNR to reach the top of the plateaus corresponding to gains of about 18 and 23 dB, respectively, for CWT and CNN denoising. The low gains at high-input SNRs for these methods can be explained by the fact that for an input waveform with already high SNR (low noise), only very little improvement can be achieved by denoising, if at all. Results involving 4780 constructed waveforms suggest that in terms of degree of fidelity for the denoised waveforms with respect to the ground truth seismograms, CNN denoising outperforms both CWT denoising and frequency filtering. Onset time picking analyses by an experienced expert analyst suggest that CNN denoising allows more picks to be made com-pared with frequency filtering or CWT denoising and is on par with the expert analyst’s processing that follows current operational procedure. The CWT techniques are more likely to introduce artifacts that made the waveforms unusable.

More Details

Influence of Realistic, Cyclic Atmospheric Cycles on the Pitting Corrosion of Austenitic Stainless Steels

Journal of the Electrochemical Society

Schaller, Rebecca; Karasz, Erin K.; Bryan, Charles R.; Snow, J.; Taylor, Jason M.; Kelly, R.G.; Montoya, T.

Pitting corrosion was evaluated on stainless steels 304H, 304, and 316L the surfaces of which had ASTM seawater printed on them as a function of surface roughness after exposure to an exemplar realistic atmospheric diurnal cycle for up to one year. Methods to evaluate pitting damage included optical imaging, scanning electron microscopy imaging, profilometry analysis, and polarization scans. The developed cyclic exposure environment did not significantly influence pitting morphology nor depth in comparison to prior static exposure environments. Cross-hatching was observed in a majority of pits for all material compositions with the roughest surface finish (#4 finish) and in all surface finishes for the 304H composition. Evidence is provided that cross-hatched pit morphologies are caused by slip bands produced during the grinding process for the #4 finish or by material processing. Additionally, micro-cracking was observed in pits formed on samples with the #4 surface finish and was greatly reduced or absent for pits formed on samples with smooth surface finishes. This suggests that both a low RH leading to an MgCl2-dominated environment and a rough surface containing significant residual stress are necessary for micro-cracking. Finally, the use of various characterization techniques and cross sectioning was employed to both qualitatively and quantitatively assess pitting damage across all SS compositions and surface finishes.

More Details

Predictive Capability Maturity Model Demonstration for Cylindrical Cavity Coupling Using Gemma in the Next Generation Workflow

Krueger, Aaron M.; Jelsema, Casey M.; Pfeiffer, Robert A.

The predictive capability maturity model (PCMM) uses the expert elicitation process to generate credibility evidence for a particular analysis. To ensure Gemma has the capability to efficiently produce this credibility evidence, next generation workflows (NGW) are created for the solution verification, calibration/validation, and input uncertainty quantification portions of the PCMM assessment. These workflows are then used on the Higgins cylinder problem, which is representative of applications involving external-to-internal electromagnetic field coupling through a slot. The uncertainties calculated using these workflows are then used to calculate the validation comparison error and the validation uncertainty for the model following the American Society of Mechanical Engineers (ASME) verification and validation (V&V) 20 standard. These workflows will enable analysts to iterate each element of PCMM more efficiently than if completed without using a NGW workflow. An example of this iterative process is shown in Section 7.2.

More Details

Genome Sequence of Mycobacteriophage Bassalto

Microbiology Resource Announcements

Barekzi, Nazir; Wilkins, Meagan N.; Williams, Aumon L.; Moore, Afiya J.; Duckett, Zachary R.; Tindall, Danielle M.; Eaddy, Donnetta R.; Johnson, Mary B.; Bass, Malcolm; Mageeney, Catherine M.

Bassalto is a newly isolated phage of Mycobacterium smegmatis mc2155 from the campus grounds of Norfolk State University in Norfolk, VA. Bassalto belongs to the cluster B and subcluster B3 mycobacteriophages, based on the nucleotide composition and comparison to known mycobacteriophages.

More Details
Results 4951–5000 of 101,000
Results 4951–5000 of 101,000
Top