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At least 1,189 records · Page 66

Simplified Formulas for External Pressure Design

Design of vessels for external pressure currently requires a chart-based solution or analytical approaches which are not necessarily intuitive. In this paper, we propose simple formulas for the external pressure evaluation of pipes and other cylindrical pressure vessels. We present a conceptual comparison between the elastic and elastic-plastic stability of structural columns and that of cylindrical vessels of long, intermediate, and short length. Their common features allow an accurate and straightforward approach for external pressure design. The approach is also extended to spherical caps, conical vessels, and formed heads.We compare the method presented to the current acceptance criteria from various design codes, including the ASME Boiler and Pressure Vessel Code Section VIII, Code Case 2286, and EN 13445-3, as well as codes for steel and aluminum structures. In further discussion, the simplified method is compared against the results of more than 500 experiments on the buckling of cylindrical and spherical vessels published over the past two centuries.This simple but accurate approximation is conceptually intuitive, analytically straightforward, and shows potential utility in pressure vessel design codes, as well as piping design codes such as B31 that currently reference ASME VIII for external pressure design.

Kirkland, Will↗

Synthesis, Crystal Structure, Electrochemical Properties, and Biological Activity of 2-((1H-Benzimidazol-2-yl)methylamino)acetic Acid

A water soluble compound, (2-((1H-benzimidazol-2-yl)methylamino)acetic acid, BIGH, has been synthesized and structurally characterized by elemental analysis, IR and UV spectroscopies, {sup 1}H-NMR, thermogravimetric and differential thermal analyses, and single crystal and powder X-ray diffraction. BIGH can act as a flexible planar ligand with three potential coordination sites. It crystallizes in a monoclinic system with the sp. gr. P2{sub 1}/c with the unit cell parameters, a = 9.3764(7) Å, b = 11.5031(8) Å, c = 10.0543(6) Å, and Z = 4. The crystal structure was stabilized through inter-molecular hydrogen bonds. The anti-microbial activity of the compound has been studied against Escherichia coli, Bacillus subtilis, Pseudomonas aeruginosa, and Staphylococcus aureus, which showed a good activity against Bacillus subtilis. Cyclic voltammogram of the compound shows that it is a redox-active molecule.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Decomposition of Aromatic Compounds Relevant to Organic Electronics under Exposure to Low-Energy Electrons

The persistence of molecules to destruction under the action of low-energy (0–15 eV) electrons is investigated for a representative series of aromatic compounds of interest to organic electronics and photonics. The energy regions of the most effective interaction of free electrons with isolated molecules, which leads to the dissociative decay of molecules due to the formation of short-lived negative molecular ions unstable to fragmentation, are determined using resonance electron capture negative ion mass spectrometry. The characteristic fragmentation channels for molecular ions are revealed for some groups of compounds, and the threshold energies of the most significant fragmentation processes are estimated. Polycyclic aromatic hydrocarbons and oligophenyls are stable to the action of electrons in the electron energy range ~0–3 eV, above which these compounds are decomposed into the single channel of hydrogen atom detachment. For compounds with heterocycles (oxadiazole and maleimide derivatives) in their structure, the stability range narrows down to ~0–1 eV. Electrons with energies exceeding this range initiate the decay of molecules (anions) via various channels among which the detachment of a cyanate anion from a heterocyclic nucleus is the most intense and destructive process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

BCL10 Mutations Define Distinct Dependencies Guiding Precision Therapy for DLBCL

Activated B cell–like diffuse large B-cell lymphomas (ABC-DLBCL) have unfavorable outcomes and chronic activation of CARD11–BCL10–MALT1 (CBM) signal amplification complexes that form due to polymerization of BCL10 subunits, which is affected by recurrent somatic mutations in ABC-DLBCLs. Herein, we show that BCL10 mutants fall into at least two functionally distinct classes: missense mutations of the BCL10 CARD domain and truncation of its C-terminal tail. Truncating mutations abrogated a motif through which MALT1 inhibits BCL10 polymerization, trapping MALT1 in its activated filament-bound state. CARD missense mutations enhanced BCL10 filament formation, forming glutamine network structures that stabilize BCL10 filaments. Mutant forms of BCL10 were less dependent on upstream CARD11 activation and thus manifested resistance to BTK inhibitors, whereas BCL10 truncating but not CARD mutants were hypersensitive to MALT1 inhibitors. Therefore, BCL10 mutations are potential biomarkers for BTK inhibitor resistance in ABC-DLBCL, and further precision can be achieved by selecting therapy based on specific biochemical effects of distinct mutation classes.

60 APPLIED LIFE SCIENCES↗

Final Report on "Collaborative Research to Narrow Uncertainties in Precipitation and the Hydrological Cycle in Climate Models"

The central objectives of this work have been to explore and improve the depiction of precipitation and related processes in climate models by developing and analyzing observations and their gridded analyses, and developing new approaches and metrics. All three groups worked with the NCAR-based Community Earth System Model (CESM) and international community Climate Model Inter-comparison Project version 5 (CMIP5) models in various ways. At NCAR and SUNYA an initial focus was on the observational record, including updating of the river discharge dataset. A major focus at NCAR was extensive work on new datasets of hourly precipitation from CMORPH (observations) and CESM, and commentary on and validation of the CESM. SUNYA contributed to the comparison and evaluation of existing precipitation products widely used in climate research, the analysis of precipitation characteristics in CESM and other CMIP5 models, and decadal precipitation variability associated with decadal variability. At NCAR and SUNYA work was focused on the frequency and intensity of precipitation, including their dependence on the temporal and spatial resolution of the data used to calculate the frequency and intensity, as well as additional analyses on the effects of precipitation data uncertainties on the estimated historical drying trends. LLNL focused on the diurnal cycle. New insights have resulted in the characteristics of precipitation (frequency, intensity, amount, duration, diurnal cycle, covariability in space and time) and evaluation of these in models. In general models perform poorly and this provides a much-needed focus on what aspects of models are greatly in need of improvement. A substantial number of papers have now been published on these topics. The focus on the characteristics of precipitation and not just amount also provides a natural entrée into examining the extremes of precipitation, that are very important to the general public in terms of impacts. Examples are the deluges from Florence and Harvey, and extensive work has been performed on the latter. On the other side of the coin, considerable work has been performed on dry spells and drought, including improvements in a drought index. There has been considerable outreach to the general public, especially through the media, but also via talks and lectures, and a strong educational component at SUNYA. For example, the Harvey paper has an altimetrics rating of 827 and is the highest for any paper from that journal, it is at the 99th percentile of all papers of the same age, and is in the top 95 percent of all papers. The energy cycle and ocean heat content has been another focus. The entire atmospheric energy cycle has been reformulated and applied to the latest data to include effects from the enthalpy of precipitation. Relationships between ocean heat content and sea level rise have also been extensively explored in observations and models, with new insights into the role of Mount Pinatubo volcanic eruption on distorting and hiding the accelerating sea level rise. This work has been also widely featured in news media. The “year without a summer” has also been explored in the past using models, and how changes in the vertical structure and stability of the ocean with a warming climate may influence a future such volcanic event by amplifying the surface temperature response.

58 GEOSCIENCES↗

Modeling Activities Related to Waste Form Degradation: Progress Report

This report represents the milestone deliverable M4SF-21SN010309021 “Modeling Activities Related to Waste Form Degradation: Progress Report” that describes the progress of R&D activities of ongoing modeling investigations specifically on nuclear waste glass degradation, Density Functional Theory (DFT) studies on clarkeite structure and stability, and electrochemical modeling of spent nuclear fuel (SNF). These activities are part of the newly-created Waste form Testing, Modeling, and Performance work package at Sandia National Laboratories (SNL). This work package is part of the “Inventory and Waste Form Characteristics and Performance” control account that includes various experimental and modeling activities on nuclear waste degradation conducted at Oak Ridge National Laboratory (ORNL), SNL, Argonne National Laboratory (ANL), and Pacific Northwest National Laboratory (PNNL).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Computational exploration of DIII-D QH-mode with extended MHD

This work will enable improved understanding of the scientific basis for DIII-D Quiescent H-mode (QH-mode) by leveraging recent computational developments of the NIMROD code. Experimentally, it is established that the QH-mode tokamak operation regime is free of edge-localized modes (ELMs) with good energy confinement. ELMs produce an impulsive heat-flux on the divertor that is unacceptable under burning-plasma conditions. Beyond DIII-D in future high-power-density tokamaks, accommodation of a high heat flux at the divertor represents a key challenge to overcome. Proposed solutions involve operation at high divertor density to achieve divertor detachment, operation with a liquid lithium wall and/or introduction of impurities to enhance radiative losses. Additionally, the first wall material is likely to be a high-Z material such as Tungsten in future devices as materials such as graphite tiles restrict the lifetime of the first wall due to a high erosion rate. While the atomic species composition of the plasma is known to impact the edge-pedestal structure and stability, the specifics of the underlying physics basis for this interaction is not firm. Studying this interaction is the goal of this proposal without focusing specifically on the fine details of the first wall and divertor solution. It is the goal is to lay the ground work to establish the compatibility of the divertor solutions and wall material with pedestal solutions that eliminate ELMs by leveraging present DIII-D experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

MARVEL Reactor Fuel Performance Report (Rev.2)

The Microreactor Applications Research Validation and EvaLuation (MARVEL) project is producing a high temperature liquid metal-cooled nuclear test bed at Idaho National Laboratory (INL) to ultimately improve the integration of microreactors to end-user applications. This ambitious effort seeks to design, authorize, construct, test, and operate the reactor within five years. In order to construct and operate the MARVEL reactor in a timely manner, the system will utilize materials and component designs which have already been used, qualified, or licensed from previous reactors. The MARVEL reactor will be located at the INL Transient Reactor Test (TREAT) facility in the north high-bay equipment pit and will use the existing 304 stainless steel-clad U-ZrH1.6 pin-type fuel system developed by General Atomics and purchased from TRIGA International. This fuel has been previously qualified under the United States Department of Energy’s (US DOE) Reduced Enrichment for Research and Test Reactors (RERTR) Program. Even though the regulator of the MARVEL reactor is the US DOE, the standards and overall approach recommended by the Nuclear Regulatory Commission is well-defined and utilized here. Following NUREG-1537 regulatory guidance, this report documents the authorization case for the MARVEL fuel system’s application to MARVEL and establishes stable and predictable fuel performance during the most thermophysically unfavorable conditions achievable in the MARVEL reactor. To that end, this report provides a comprehensive survey of the known thermophysical properties, performance, and quantitative relationships associated with the MARVEL reactor fuel element and uses this information to determine its mechanical integrity and risk of reaching unacceptable conditions during the most extreme accident scenarios predicted for the reactor using the most conservative assumptions available. The information contained herein is compiled from a combination of historical reports and peer reviewed scientific publication manuscripts. Known mechanisms under which the fuel is susceptible to failure are highlighted and compared to conditions that could exist in the MARVEL reactor during an unanticipated transient or accident scenario. The two scenarios considered for analysis in this report are (1) an unprotected loss of flow accident and (2) a hypothetical unprotected loss of coolant accident during the loss of flow accident. Preliminary 2D steady-state analyses herein indicate that both fuel-cladding chemical interactions and fuel-cladding mechanical interactions are negligible throughout the fuel’s operational cycle under both normal and high temperature accident scenario conditions. Although higher fidelity 3D time-dependent modeling and simulations are planned, the following may be concluded presently. The MARVEL fuel element maintains its geometric stability and structural integrity during the most extreme accident scenarios predicted for the MARVEL reactor. The hoop stress during the unprotected loss of flow accident reaches about -1.27 MPa; this negative stress indicates that it is compressive rather than tensile. The compressive stress is a result of the NaK pressure on the outside of the fuel element, caused by the restricted thermal expansion of the NaK coolant, exceeding the internal pressures generated inside of the fuel element. The hoop stress generated in the cladding during the unprotected loss of coolant accident reaches a maximum of about approximately 10 MPa, which is nearly an order of magnitude less than the predicted yield strength of the cladding under high-temperature accident scenario conditions. Calculations were compared with results from high performance computational simulations using BISON and are in very close agreement. A conservative MARVEL fuel meat peak temperature limit of 900 °C is recommended presently, which is about 180 °C higher than the peak fuel temperature predicted to occur during the most extreme accident. Based on the known properties and behavior of the MARVEL fuel element, the fuel successfully meets its design and safety requirements under normal and most extreme accident conditions with a large safety margin.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Modeling Activities Related to Waste Form Degradation: Progress Report

This report represents the milestone deliverable M4SF-22SN010309092 “Modeling Activities Related to Waste Form Degradation: Progress Report” that describes the progress of R&D activities of ongoing modeling investigations specifically on nuclear waste glass degradation, Density Functional Theory (DFT) studies on clarkeite structure and stability, and electrochemical model development of spent nuclear fuel (SNF). These activities are part of the Waste Form Testing, Modeling, and Performance work package at Sandia National Laboratories (SNL). This work package is part of the “Inventory and Waste Form Characteristics and Performance” control account that includes various experimental and modeling activities on nuclear waste degradation conducted at Oak Ridge National Laboratory (ORNL), SNL, Argonne National Laboratory (ANL), and Pacific Northwest National Laboratory (PNNL).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Technical report Letter: RAFM, ODS steels and MMLC for Nuclear energy application

The lifetime, thermodynamic efficiency, safety and economic viability of new generation fission and fusion reactor concepts can largely be tied to the mechanical performance and stability of structural alloys under extreme environments. In this context, engineered nano materials could have broad-reaching impact on the future of advanced nuclear fuel-cycle and reactors. These systems are characterized by a large number density of interfaces which are efficient sinks for point defects and moderately biased; therefore limiting the deleterious effects of irradiation. Broadly, nuclear nano-technology deals with the use of the latest engineered-nanomaterials for improving the nuclear power performances and safety in all areas of nuclear energy production to bring new generations of nuclear power units. New advanced fuel assembly designs also have implications for securities and safeguards. To support the readiness for potential future license applications, an understanding of the technologies that would enable new reactor designs in the areas of component performance and domestic safeguards is necessary. This technical report letter work explores the technical issues and potential regulatory considerations associated with developing and adopting fuel claddings made of advanced nano- materials. Specifically three classes of nanomaterials are considered: (i) reduced activation ferritic/martensitic (RAFM) steels, (ii)oxide dispersed steels (ODS) and (iii) multi-metallic layered composites (MMLC).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Rigid-Mode Limit of the Yokoya Matrix Formalism and the Burov-Lebedev Dispersion Equation

Transverse single-bunch instabilities of space-charge-dominated coasting beams with round and flat transverse geometries are studied using a unified dispersion-relation framework. The analysis combines the Burov-Lebedev formalism, which captures space-charge tune spread, Landau damping, and instability threshold behavior, with Yokoya’s projection method for representing coherent transverse mode structure and its dependence on beam aspect ratio. In the rigid-beam limit, the formulation reduces to a scalar dispersion relation of Burov-Lebedev paper. For non-rigid transverse oscillations, truncation of Yokoya’s Hermite-based expansion yields a finite-dimensional matrix eigenvalue problem in which space-charge and coupling impedance effects enter through Burov-Lebedev–type denominators. This approach provides a consistent basis for comparing rigid and non-rigid instability behavior in round and flat beams and for assessing the role of beam ellipticity in modifying coherent mode structure and stability thresholds.

43 PARTICLE ACCELERATORS↗

Steady state radiolysis–polyhalide accumulation products [Poster]

The study of steady-state radiolysis of polyhalides is crucial as it simulates the prolonged radiation exposure that materials (e.g., alloys, molten salts) experience in reactor environments. This research provides valuable insights into the long-term effects on material properties, chemical stability, and structural integrity. It is closely linked with fundamental radiation chemistry, which aids in predicting the chemical behavior of accumulation products. Understanding the initial speciation, yield, and chemical evolution of radiolysis products is essential for managing material degradation, controlling corrosion, and ensuring reactor safety.

36 - MATERIALS SCIENCE↗

MassIVE MSV000095714

Proteomic analysis reveals translation-related proteins are significantly altered in response to stabilized G4s. Identification of the importance of translation factors in overcoming G4s led to the question of how E. coli cells generally respond to chemicals that stabilize such structures. As a first step in addressing this question, a proteomic analysis was carried out to measure the quantitative effects of NMM on the levels of individual proteins in E. coli. Protein levels from early log-phase cultures of delta-tolC and delta-tolC tufA::kan strains grown in the presence or absence of NMM were measured to assess how reduced EF- Tu levels and NMM impacted expression.

Bottom-up proteomics↗

Proteome-wide characterization of PTMs reveals host cell responses to viral infection and identifies putative antiviral drug targets

Post-translational modifications (PTMs) are biochemical modifications that can significantly alter protein structure, function, stability, localization, and interactions with other molecules, thereby activating or inactivating intracellular processes. A growing body of research has begun to highlight the role of PTMs, including phosphorylation, ubiquitination, acetylation, and redox modifications, during virus-host interactions. Collectively, these PTMs regulate key steps in mounting the host immune response and control critical host pathways required for productive viral replication. This has led to the conception of antiviral therapeutics that focus on controlling host protein PTMs, potentially offering pathogen-agnostic treatment options and revolutionizing our capacity to prevent virus transmission. On the other hand, viruses can hijack the host cellular PTM machinery to modify viral proteins in promoting viral replication and evading immune surveillance. PTM regulation during virus-host interactions is complex and poorly mapped, and the development of effective PTM-targeted antiviral drugs will require a more comprehensive understanding of the cellular pathways essential for virus replication. In this review, we discuss the roles of PTMs in virus infection and how technological advances in mass spectrometry-based proteomics can capture systems-level PTM changes during viral infection. Additionally, we explore how such knowledge is leveraged to identify PTM-targeted candidates for developing antiviral drugs. Looking ahead, studies focusing on the discovery and functional elucidation of PTMs, either on the host or viral proteins, will not only deepen our understanding of molecular pathology but also pave the way for developing better drugs to fight emerging viruses.

Immunology↗

The Function of Horn Ridges for Impact Damping

This study explores the damping effects of ram horn ridges on mechanical impacts resulting from ramming. We measured the amplitudes and frequencies of ridges along the axial (pitch) direction of the ridges of ram horns obtained from eight specimens across six different species. While the horns shared a similar spiral-shaped pattern with surface ridges, our findings show variations among the horns, including ridge spacing and growth trends. Additionally, we employed finite element analysis (FEA) to compare a ridged horn model with a non-ridged counterpart to provide an understanding of the damping characteristics of the surface ridges. Our FEA results reveal that the ridged horn decreased the initial ramming pressure by 20.7%, increased the shear stress by 66.9%, and decreased the axial strain by 27.3%, the radial strain by 16.7%, and the shear strain by 14.3% at a 50 ms impact duration compared to those of the non-ridged horn. The damping ratio was increased by 7.9% because of the ridges. This study elucidates three primary functions of the different species of ram horns’ spirals and ridges: (1) to transfer longitudinal waves into shear waves, (2) to filter shear waves, and (3) to stabilize the structure by mitigating excessive strain.

bio-inspired design↗

Between Harmonic Crystal and Glass: Solids with Dimpled Potential-Energy Surfaces Having Multiple Local Energy Minima

Solids with dimpled potential-energy surfaces are ubiquitous in nature and, typically, exhibit structural (elastic or phonon) instabilities. Dimpled potentials are not harmonic; thus, the conventional quasiharmonic approximation at finite temperatures fails to describe anharmonic vibrations in such solids. At sufficiently high temperatures, their crystal structure is stabilized by entropy; in this phase, a diffraction pattern of a periodic crystal is combined with vibrational properties of a phonon glass. As temperature is lowered, the solid undergoes a symmetry-breaking transition and transforms into a lower-symmetry phase with lower lattice entropy. Here, we identify specific features in the potential-energy surface that lead to such polymorphic behavior; we establish reliable estimates for the relative energies and temperatures associated with the anharmonic vibrations and the solid–solid symmetry-breaking phase transitions. We show that computational phonon methods can be applied to address anharmonic vibrations in a polymorphic solid at fixed temperature. To illustrate the ubiquity of this class of materials, we present a range of examples (elemental metals, a shape-memory alloy, and a layered charge-density-wave system); we show that our theoretical predictions compare well with known experimental data.

36 MATERIALS SCIENCE↗

Microfluidic Fabrication Techniques for High-Pressure Testing of Microscale Supercritical CO 2 Foam Transport in Fractured Unconventional Reservoirs

Pressure limitations of many microfluidic platforms have been a significant challenge in microfluidic experimental studies of fractured media. As a result, these platforms have not been fully exploited for direct observation of high-pressure transport in fractures. This work introduces microfluidic platforms that enable direct observation of multiphase flow in devices featuring surrogate permeable media and fractured systems. Such platforms provide a pathway to address important and timely questions such as those related to CO 2 capture, utilization and storage. This work provides a detailed description of the fabrication techniques and an experimental setup that may serve to analyze the behavior of supercritical CO 2 (scCO 2 ) foam, its structure and stability. Such studies provide important insights regarding enhanced oil recovery processes and the role of hydraulic fractures in resource recovery from unconventional reservoirs. This work presents a comparative study of microfluidic devices developed using two different techniques: photolithography/wet-etching/ thermal-bonding versus Selective Laser-induced Etching. Both techniques result in devices that are chemically and physically resistant and tolerant of high pressure and temperature conditions that correspond to subsurface systems of interest. Both techniques provide pathways to high-precision etched microchannels and capable lab-on-chip devices. Photolithography/wet-etching, however, enables fabrication of complex channel networks with complex geometries, which would be a challenging task for laser etching techniques. This work summarizes a step-by-step photolithography, wet-etching and glass thermal-bonding protocol and, presents representative observations of foam transport with relevance to oil recovery from unconventional tight and shale formations. In conclusion, this work describes the use of a high resolution monochromatic sensor to observe scCO 2 foam behavior where the entirety of the permeable medium is observed simultaneously while preserving the resolution needed to resolve features as small as 10 μm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗