Cable tray FIRE tests simulations in open atmosphere and in confined and mechanically ventilated compartments with the CALIF3S/ISIS CFD software

Fire hazard in nuclear power plants (NPPs) is particularly often investigated as potential cause of safety equipment failure and confinement loss. Many fire events recorded in NPPs involve electric cables, widely used throughout facilities. IRSN is developing the CALIF3S/ISIS computational fluid dynamics software devoted to fire simulation in large‐scale confined and mechanically ventilated compartments. This paper presents two aspects of the CALIF3S/ISIS code ability to simulate fires. The first one concerns vertical and horizontal spreading of a cable tray fire in open atmosphere using an approach based on the FLASH‐CAT cable fire spread model. Resorting to the suitable parameters of the FLASH‐CAT model based on video fire analyses of tests enables to properly compute the heat release rate of the fire. The second aspect concerns the ability to simulate the evolution and consequences of fires in confined and mechanically ventilated compartments. For these cases, the heat release rate measured during the corresponding experiment is used as input data for the calculations. The predicted evolutions of pressure or gas temperatures are in relatively good accordance with the experiments. The major discrepancy concerns gas concentrations in the fire room which is attributed to a lack of information about the properties of the fuel material.     

A flexible air separation process: 1. Design and steady-state optimizations

The flexible operation of energy-intensive processes, such as cryogenic air separation, has economic potential due to increasing fluctuations of the electricity markets. Multiproduct air separation processes with high ratios of liquid product are very promising for flexible operation due to storable products. We present a process design with an integrated liquefication cycle and liquid assist operation, that facilitates a high liquid product ratio and a flexible process operation. We use a mechanistic dynamic process model in steady-state process optimizations covering the wide operational range of the proposed process. The optimization results show that the power demand can be varied in a range from 3.5 to 28 MW without violating operational constraints by changing the nitrogen and oxygen production rates. Thus, the proposed process is a promising air separation candidate for flexible operation with respect to fluctuating electricity markets.     

Portable Node-Level Parallelism for the PGAS Model

The Partitioned Global Address Space (PGAS) programming model brings intuitive shared memory semantics to distributed memory systems. Even with an abstract and unifying virtual global address space it is, however, challenging to use the full potential of different systems. Without explicit support by the implementation node-local operations have to be optimized manually for each architecture. A goal of this work is to offer a user-friendly programming model that provides portable performance across systems. In this paper we present an approach to integrate node-level programming abstractions with the PGAS programming model. We describe the hierarchical data distribution with local patterns and our implementation, MEPHISTO, in C++ using two existing projects. The evaluation of MEPHISTO shows that our approach achieves portable performance while requiring only minimal changes to port it from a CPU-based system to a GPU-based one using a CUDA or HIP back-end.

     

Hot corrosion of TBC-coated components upon combustion of low-sulfur fuels

Gas turbine reliability is a crucial requirement for passenger safety in aviation and a secure energy supply. Hence, corrosive degradation of combustor parts, vanes, and blades in gas turbines must be prevented. One of the most severe forms of corrosion is alkali-sulfate-induced hot corrosion, which is associated with internal sulfidation of components and is usually anticipated to fade in importance in the absence of sulfur. However, the literature suggests that hot corrosion might still occur in low-sulfur combustion gases. In this study, established thermodynamic modeling methods are used to analyze the low-sulfur hot corrosion regime. Liquid sodium chromate is found to be stable in these conditions. A comparison of calculation results and engine findings suggests that high alkali levels can negatively impact thermal barrier coating life even if sulfur is absent in the fuel. Laboratory tests are carried out to validate the chromate formation on MCrAlY-coated specimens. It is shown that molten sodium chromate can alter the oxidation behavior of MCrAlY, promoting the formation of voluminous spinel. This represents a new and different form of hot corrosion compared to type I hot corrosion.     

Differences in seasonal distribution of wild and stocked juvenile lake trout by depth and temperature in Lake Champlain

Lake trout (Salvelinus namaycush) reared in hatcheries are exposed to an environment and feeding regime that is different from wild lake trout, and are stocked at substantially larger sizes with higher lipid reserves. In addition to differences in diet and growth, this early experience may alter habitat use compared to the wild cohort. We used seasonal data on the depth and temperature distribution of wild and stocked juvenile lake trout to test for differences in habitat use and inform sampling strategies to evaluate annual recruitment. Bottom trawling was conducted from 2015 to 2019 in the central basin of Lake Champlain every two to four weeks during the ice-free season. Differences in distribution of wild and stocked lake trout were most pronounced during thermal stratification, when wild juveniles were more abundant than stocked juveniles at shallower depths and warmer temperatures and stocked juveniles were more abundant at deeper depths and colder temperatures. Temperature preferences may be a consequence of different early rearing environments; wild lake trout are acclimated to lake temperatures and forage, whereas stocked fish entered the lake with high lipid content and little foraging experience. Unbiased assessment of the proportion of wild lake trout and growth and survival of the entire juvenile lake trout population using bottom trawl sampling should either take place in the pre- and post-stratification seasons when wild and stocked fish are at the same depths, or include the full range of depths and temperatures that wild and stocked fish occupy during the stratified period.     

Geosynthetic reinforced piled embankment modeling using discrete and continuum approaches

Understanding the load transfer mechanism can support engineers having more economical design of geosynthetic reinforced piled embankments. This study aims to investigate the load transfer mechanisms by two different numerical methods including the Discrete Element Method (DEM) and the Finite Difference Method (FDM). The DEM model adopts (a) discrete particles to simulate the micro-structure of the granular materials and (b) coupled discrete element – finite element method (DEM-FEM) to capture the interaction between granular materials and geotextiles. On the other hand, the FDM model uses an advanced constitutive soil model considering the hardening and softening behaviour of the granular materials. The numerical results show that the geotextiles can only contribute to the vertical loading resistance in cases where the soils between piles are soft enough. In terms of design, an optimum value of the geotextile tensile stiffness can be found considering the load, the soft soil stiffness and the thickness of the embankment. Both the DEM and the FDM show that a high geotextile tensile stiffness is not required since an extra stiffness will slightly contribute to the efficiency of the geosynthetic reinforced piled embankments. Nevertheless, both models are useful to optimize the design of geosynthetic reinforced piled embankments.     

Improvement of Aglycone π-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists

Antimicrobial resistance has become a serious concern for the treatment of urinary tract infections. In this context, an anti-adhesive approach targeting FimH, a bacterial lectin enabling the attachment of E. coli to host cells, has attracted considerable interest. FimH can adopt a low/medium-affinity state in the absence and a high-affinity state in the presence of shear forces. Until recently, mostly the high-affinity state has been investigated, despite the fact that a therapeutic antagonist should bind predominantly to the low-affinity state. In this communication, we demonstrate that fluorination of biphenyl α-d -mannosides leads to compounds with perfect π–π stacking interactions with the tyrosine gate of FimH, yielding low nanomolar to sub-nanomolar K_D values for the low- and high-affinity states, respectively. The face-to-face alignment of the perfluorinated biphenyl group of FimH ligands and Tyr48 was confirmed by crystal structures as well as ¹H,¹⁵N-HSQC NMR analysis. Finally, fluorination improves pharmacokinetic parameters predictive for oral availability.     

Nitrogen contributions of alley cropped Trifolium pratense may sustain short rotation woody crop yields on marginal lands

Nutrient Cycling in Agroecosystems - Incorporating nitrogen-fixing cover crops into short rotation woody crop (SWRC) plantations may increase soil and tree nitrogen while sustaining, or even...     

A Dynamic Combinatorial Approach for Identifying Side Groups that Stabilize DNA-Templated Supramolecular Self-Assemblies

DNA-templated self-assembly is an emerging strategy for generating functional supramolecular systems, which requires the identification of potent multi-point binding ligands. In this line, we recently showed that bis-functionalized guanidinium compounds can interact with ssDNA and generate a supramolecular complex through the recognition of the phosphodiester backbone of DNA. In order to probe the importance of secondary interactions and to identify side groups that stabilize these DNA-templated self-assemblies, we report herein the implementation of a dynamic combinatorial approach. We used an in situ fragment assembly process based on reductive amination and tested various side groups, including amino acids. The results reveal that aromatic and cationic side groups participate in secondary supramolecular interactions that stabilize the complexes formed with ssDNA.