Search NASA⌕ Search

Engineering topics

Wang, Rui

Publications and source records attributed to Wang, Rui.

At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Minimizing the impacts of the ammonia economy on the nitrogen cycle and climate

Ammonia (NH 3 ) is an attractive low-carbon fuel and hydrogen carrier. However, losses and inefficiencies across the value chain could result in reactive nitrogen emissions (NH 3 , NO x , and N 2 O), negatively impacting air quality, the environment, human health, and climate. A relatively robust ammonia economy (30 EJ/y) could perturb the global nitrogen cycle by up to 65 Mt/y with a 5% nitrogen loss rate, equivalent to 50% of the current global perturbation caused by fertilizers. Moreover, the emission rate of nitrous oxide (N 2 O), a potent greenhouse gas and ozone-depleting molecule, determines whether ammonia combustion has a greenhouse footprint comparable to renewable energy sources or higher than coal (100 to 1,400 gCO 2 e/kWh). The success of the ammonia economy hence hinges on adopting optimal practices and technologies that minimize reactive nitrogen emissions. We discuss how this constraint should be included in the ongoing broad engineering research to reduce environmental concerns and prevent the lock-in of high-leakage practices.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Efficient phase-space generation for hadron collider event simulation

We present a simple yet efficient algorithm for phase-space integration at hadron colliders. Individual mappings consist of a single t-channel combined with any number of s-channel decays, and are constructed using diagrammatic information. The factorial growth in the number of channels is tamed by providing an option to limit the number of s-channel topologies. We provide a publicly available, parallelized code in C++ and test its performance in typical LHC scenarios.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Kinetic approach of light-nuclei production in intermediate-energy heavy-ion collisions

We develop a kinetic approach to the production of light nuclei up to mass number A ≤ 4 in intermediate-energy heavy-ion collisions by including them as dynamic degrees of freedom. The conversions between nucleons and light nuclei during the collisions are incorporated dynamically via the breakup of light nuclei by a nucleon and their reverse reactions. We also include the Mott effect on light nuclei; i.e., a light nucleus will no longer be bound if the phase-space density of its surrounding nucleons is too large. With this kinetic approach, we obtain a reasonable description of the measured yields of light nuclei in central Au+Au collisions at energies of 0.25⁢A GeV–1.0⁢A GeV by the FOPI Collaboration. Our study also indicates that the observed enhancement of the α-particle yield at low incident energies can be attributed to a weaker Mott effect on the α particle, which makes it more difficult to dissolve in nuclear medium, as a result of its much larger binding energy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Oriented nucleation in formamidinium perovskite for photovoltaics

The black phase of formamidinium lead iodide (FAPbI 3 ) perovskite shows huge promise as an efficient photovoltaic, but it is not favoured energetically at room temperature, meaning that the undesirable yellow phases are always present alongside it during crystallization. This problem has made it difficult to formulate the fast crystallization process of perovskite and develop guidelines governing the formation of black-phase FAPbI 3 . Here, we use in situ monitoring of the perovskite crystallization process to report an oriented nucleation mechanism that can help to avoid the presence of undesirable phases and improve the performance of photovoltaic devices in different film-processing scenarios. The resulting device has a demonstrated power-conversion efficiency of 25.4% (certified 25.0%) and the module, which has an area of 27.83 cm 2 , has achieved an impressive certified aperture efficiency of 21.4%.

14 SOLAR ENERGY↗
DOE OSTI2023

Experimental and computational investigations on the SO 2 poisoning of (La 0.8 Sr 0.2 ) 0.95 MnO 3 cathode materials

To study the formation of detrimental phases under the sulfur gas impurity to the long-term degradation in the LSM cathode material, the classic cathode material, (La 0.8 Sr 0.2 ) 0.95 MnO 3 (LSM), was prepared, sintered, and annealed at 800, 900, and 1000°C in the sulfur-containing atmospheres, respectively. Through X-Ray Diffraction (XRD), Scanning Electron Microscope (SEM), and Transmission electron microscopy (TEM) techniques, as well as the CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) methodology, the secondary phases, especially the detrimental ones, under different conditions were predicted and experimentally verified correspondingly. Furthermore, sulfur poisoning results indicate that the accelerated tests might have degradation mechanisms different from actual operation conditions. More importantly, comprehensive comparisons among various impurity-containing conditions were also made to recommend better operation parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Roll-to-roll solvent-free manufactured electrodes for fast-charging batteries

In response to the growing demand for lithium-ion batteries (LIBs), we demonstrate a solvent-free manufacturing technology that can avoid toxic organic solvents and form unique electrode structures to overcome the bottlenecks in low costs and fast charging. The lower tortuosity achieved by the open pores in the dry-printed (DP) electrode allows for a shorter Li+ diffusion pathway, which leads to better rate performance. The DP pouch cells exhibit higher capacity retention of 78% and 69% at 3C and 4C, respectively, compared with 67% and 52% for the slurry cast (SL) cells at the same rates. Moreover, the coating layer on the surface of active materials prevents the excess side reaction between active materials and electrolytes, which prolongs the cycle life of the DP cells. This manufacturing process is a roll-to-roll system with immense potential to be scaled up, providing a more efficient and economical way for battery manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Computationally Guided Design of Multiple Impurities Tolerant Cathode for Solid Oxide Fuel Cell Applications

Solid oxide fuel cells (SOFCs) have been recognized as promising candidates in the demand of reducing the dependence on fossil fuels, which is one of the solutions to the threat of global warming. It was reported that the direct chemical-to-electrical energy conversion in SOFCs comes with negligible emission of greenhouse gases and up to 60% working efficiency. SOFC has unique advantages over traditional power generation technologies and other types of fuel cells due to the use of relatively inexpensive materials, low sensitivity to poisoning impurities in fuels, relatively high conversion efficiency, and fuel flexibility (like carbon-based fuels). However, during the SOFC operation, the cathode is exposed to intrinsic and extrinsic airborne contaminants at high temperatures (600–900°C), leading to their reaction with electrode materials, irreversible chemical and structural changes, and electrochemical performance degradation. of which CO2, SO2, Cr6+ and H2O are known to be concerns. Thus, developing a comprehensive understanding of the multiple impurities poisoning of SOFC cathodes in the presence of single or multiple impurities is necessary to address the long-term degradation of the SOFC cathode systems at operating conditions. An integrated computational and experimental approach has been utilized in the current work aiming at the comprehensive investigation of the cathode materials under single or multiple impurities poisoning effects, understanding the multiple impurities poisoning mechanism(s), and improving the long-term durability of the SOFC cathodes to develop better performing impurity-tolerant cathode materials. We first examined the agreement between the simulation approach and the experimental observations at various atmospheric and temperature conditions to confirm the reliability of CALPHAD for poisoning simulations in these cathodes. Then, using this approach, we investigated the accelerated testing protocol, which has become the standard method for conducting impurity poisoning experiments involving these cathode materials. We found our simulation approach is able to predict in which systems, i.e., cathode material and treatment environment, the accelerated testing protocols reflect actual operating conditions. Finally, in-depth simulations were done for these three candidate cathodes under different experimental conditions and suggested directions toward alternative cathode materials that have superior impurity tolerance.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Quantifying selective solvent transport under an electric field in mixed-solvent electrolytes

Electrolytes in lithium-ion batteries comprise solvent mixtures, but analysis of ion transport is always based on treating the solvents as a single-entity. We combine electrophoretic NMR (eNMR) measurements and molecular dynamics (MD) simulations to quantify electric-field-induced transport in a concentrated solution containing LiPF 6 salt dissolved in an ethylene carbonate/ethyl methyl carbonate (EC/EMC) mixture. The selective transport of EC relative to EMC is reflected in the difference between two transference numbers, defined as the fraction of current carried by cations relative to the velocity of each solvent species. This difference arises from the preferential solvation of cations by EC and its dynamic consequences. The simulations reveal the presence of a large variety of transient solvent-containing clusters which migrate at different velocities. Rigorous averaging over different solvation environments is essential for comparing simulated and measured transference numbers. Our study emphasizes the necessity of acknowledging the presence of four species in mixed-solvent electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Twin suppression effect of dihydroxy-benzene isomers during the secondary growth of b -oriented zeolite MFI nanosheet films

In this study, the presence of MFI twin crystals on b-axis oriented zeolite MFI nanosheet films was suppressed by adding dihydroxy-benzene isomers in the synthesis mixture. The resulting nanosheet films exhibit good intergrowth and a small grain thickness of 30–45 nm within a relatively short synthesis time (hours). The possible twin suppression mechanisms for the three isomers are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Sulfur poisoning mechanism of LSCF cathode material in the presence of SO 2 : a computational and experimental study

Aiming at the comprehensive understanding of the single sulfur poisoning effect and, eventually, the multiple impurities poisoning phenomena on the SOFC (Solid Oxide Fuel Cell) cathode materials, the sulfur poisoning effect on the (La 0.6 Sr 0.4 ) 0.95 Co 0.2 Fe 0.8 O 3 (LSCF-6428) has been investigated in the presence of 10 ppm SO 2 at 800, 900, and 1000°C, respectively, with a combined computational and experimental approach. The good agreement between the CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) simulations and the XRD (X-Ray Diffraction), SEM (Scanning Electron Microscopy), and TEM (Transmission Electron Microscopy) characterization results support the reliability of the CALPHAD approach in the SOFC field. Furthermore, comprehensive simulations were made to understand the impact of temperature, P(SO 2 ), P(O 2 ), and Sr concentration on the threshold of SrSO 4 stability. Results showed that the formation of SrSO4 is thermodynamically favored at lower temperatures, higher P(SO 2 ), higher P(O 2 ), and higher Sr concentration. Finally, comparisons were also made between LSCF-6428 and LSM20 (La 0.8 Sr 0.2 MnO 3 ) using simulations, which confirmed that LSCF-6428 is a poor sulfur-tolerant cathode, in agreement with the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Phase-field modeling of alloy oxidation at high temperatures

Oxide growth is a complex process involving transport of reactive species, heterogeneous reactions, and microstructure evolution. Predicting oxidation kinetics and especially the oxide morphological change has been a long-standing challenge. Here we develop a phase-field model for predicting the oxide growth kinetics of a multicomponent alloy during high temperature oxidation, focusing on internal oxidation (non-protective) and its transition to external oxidation (protective). In this work, the predicted kinetics and oxide morphology are analyzed and compared to the classical Wagner’s theory and an existing analytical model by Zhao and Gleeson. Some assumptions used in the analytical models and the limitation are discussed. In addition, it is demonstrated that the morphology and distribution of the initial oxide nuclei play an important role in the later stage oxide connectivity and thus the transition to external oxidation.

36 MATERIALS SCIENCE↗