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Li, Wenjing

Publications and source records attributed to Li, Wenjing.

Collaborative Study on Weldability of Irradiated Stainless Steel 304 Materials Removed from The NRU Reactor

A collaborative research on developing advanced welding technologies for irradiated stainless steel 304 materials between CNL and ORNL has been established to support both U.S. and Canadian interests in evaluation of weld repair techniques on irradiated materials to support continuous operation of commercial nuclear power. The work utilizes unique material from the National Research Universal (NRU) reactor and the specialized welding hot cell facility at ORNL. The objective is to explore suitable welding technique and parameters and to determine the helium concentration limitation in terms of irradiated stainless-steel weldability. An additional objective is to develop the knowledge and understanding of cracking mechanisms induced by high concentration of helium in the process of weld repair of the irradiated structural alloys. This report summarizes the experimental welding evaluation on irradiated material from the NRU reactor containing helium concentrations ranging from 12 to 45 atomic parts per million (appm).

36 MATERIALS SCIENCE↗

Weldability of irradiated Stainless Steel 304 materials harvested from the National Research Universal (NRU) reactor

In this work, the weldability of the neutron-irradiated Stainless Steel 304 (SS 304) materials containing estimated helium levels of 12 to 44 appm has been studied through a Collaborative Research and Development Agreement between the Canadian Nuclear Laboratories and Oak Ridge National Laboratory. The work utilizes a SS 304 component harvested from the National Research Universal reactor. Laser beam welding was used to explore suitable welding conditions and associated parameters, to determine helium concentration limits for successful welding of irradiated stainless-steels. The experimental results show that maximum fusion zone void sizes, fusion zone void quantity and total heat affected zone helium-induced crack length generally increased with increasing He levels and effective weld heat input. A proper combination of welding parameters with low effective heat input, such as, laser power, weld travel speed and wire feed speed, were shown to improve the welding quality, and potentially reduce the length and probability of the formation of grain boundary helium-induced cracking and voids of irradiated SS 304 even with He concentrations as high as about 44 appm.

36 MATERIALS SCIENCE↗

Multiscale characterization and comparison of historical and modern nuclear graphite grades

Beginning with Chicago Pile I, graphite has been used as a moderator material in nuclear power stations and is considered a potential material for use in future Generation IV advanced reactors. The microstructure of graphite is responsible for much of its mechanical and thermo-physical properties, and how it responds to irradiation. To understand graphite microstructure, it is necessary to understand its porosity at the macro- and micro-scales; and to understand its porosity, it is necessary to characterize the morphological connectivity of the void content and the two main phases of graphite: filler and binder. Here, using several microscopy and analytical techniques, a detailed examination of the heterogeneity, microstructure and pore structure of different graphite grades and their binder and filler phases is presented. Significant differences were found between coarser and finer nuclear grades. Coarse grades have a more diverse range of filler particles, pores and thermal cracks. Finer grades have a more well-defined pore size distribution, fewer variations of filler particles sizes and do not contain as many large thermal cracks. Fine grades tend to have a well-connected network of pores whereas coarser grades contain a larger content of closed porosity. The framework developed within this work can be applied and used to assess the various graphite grades that would down-select materials for specific use in graphite moderated reactor designs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19

The SARS-CoV-2 3CL protease is a critical drug target for small molecule COVID-19 therapy, given its likely druggability and essentiality in the viral maturation and replication cycle. Based on the conservation of 3CL protease substrate binding pockets across coronaviruses and using screening, we identified four structurally distinct lead compounds that inhibit SARS-CoV-2 3CL protease. After evaluation of their binding specificity, cellular antiviral potency, metabolic stability, and water solubility, we prioritized the GC376 scaffold as being optimal for optimization. We identified multiple drug-like compounds with <10nM potency for inhibiting SARS-CoV-2 3CL and the ability to block SARS-CoV-2 replication in human cells, obtained co-crystal structures of the 3CL protease in complex with these compounds, and determined that they have pan-coronavirus activity. We selected one compound, termed coronastat, as an optimized lead and characterized it in pharmacokinetic and safety studies in vivo. Coronastat represents a new candidate for a small molecule protease inhibitor for the treatment of SARS-CoV-2 infection for eliminating pandemics involving coronaviruses.

60 APPLIED LIFE SCIENCES↗

Accuracy of predictions made by machine learned models for biocrude yields obtained from hydrothermal liquefaction of organic wastes

Hydrothermal liquefaction (HTL) has potential for converting abundant wet organic wastes into renewable fuels. Because HTL consists of a complex reaction network, deterministic, physics-based prediction of its biocrude yield is prohibitively difficult. Data-driven methods provide an alternative to the physics-based approach; however, rigorous testing must be performed to ensure the accuracy of predictions made by data-driven methods. To this end, a data set was assembled consisting of 570 data points appearing in the open literature. The data set was divided into training, validation, and test sub-sets and used for evaluating different machine learning regression approaches to predict biocrude yield. Among the tested algorithms, Random Forest and eXtreme Gradient Boosting (XGBoost) predicted biocrude yields in a test set that had not been used for training with the greatest accuracy, with root mean square errors (RMSE) of 8.34 and 8.57, respectively. Further refinement of the Random Forest model reduced its RMSE to 8.07. In comparison, predictions of a series of literature models resulted in RMSE ranging from 9.16 in the most accurate case to 27.6 in the least accurate; most literature models yielded RMSE values > 10. Using biocrude yield predictions from the most accurate Random Forest model and a probabilistic economic analysis found that the model accuracy is sufficient to prioritize allocation of resources based on projected minimum fuel selling price. In our report the models and analysis represent a major advance in the ability to use readily available data to predict biocrude yields on new feedstocks that have not previously been studied.

42 ENGINEERING↗

Conduct weld campaign (FY-21-1) on irradiated materials provided by the Canadian Nuclear Laboratory (CNL), including baseline post-weld evaluation and testing

A collaborative research on developing advanced welding technologies for irradiated stainless steel 304 materials between CNL and ORNL has been established to support both U.S. and Canadian interests in evaluation of weld repair techniques on irradiated materials to support continuous operation of commercial nuclear power. The work utilizes unique material from the National Research Universal (NRU) reactor and the specialized welding hot cell facility at ORNL. The objective is to explore suitable welding technique and parameters and to determine the helium concentration limitation in terms of irradiated stainless-steel weldability. An additional objective is to develop the knowledge and understanding of cracking mechanisms induced by high concentration of helium in the process of weld repair of the irradiated structural alloys. This report summarizes the experimental welding evaluation on irradiated material from the NRU reactor containing helium concentrations ranging from 12 to 45 atomic parts per million (appm).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

RbB 3 Si 3 : An Alkali Metal Borosilicide that is Metastable and Superconducting at 1 atm

The stability, electronic structure and potential superconductivity in AB 3 Si 3 (A = Na, K, Rb, and Cs) compounds that assume the clathrate-based sodalite structure whose frameworks consists of covalent B-Si bonds is investigated via first-principles calculations. This structure type has recently been predicted in a number of high temperature superconducting hydrides, but these are only stable under megabar pressures. Herein, we predict a novel superconducting phase, RbB 3 Si 3 , that could be synthesized under pressures that are a factor of ten smaller, ~10 GPa, and quenched to atmospheric conditions. Electron-phonon coupling calculations predict that RbB 3 Si 3 possesses a superconducting critical temperature, T c , of 14 K at 1 atm. Here, the dynamic stability of RbB 3 Si 3 and CsB 3 Si 3 at ambient pressure can be explained by considering the chemical pressure exerted on the B-Si framework that is caused by the size effect of the alkali metal atom.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗