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Lin, Jerry

Publications and source records attributed to Lin, Jerry.

Climate-invariant machine learning

Projecting climate change is a generalization problem: We extrapolate the recent past using physical models across past, present, and future climates. Current climate models require representations of processes that occur at scales smaller than model grid size, which have been the main source of model projection uncertainty. Recent machine learning (ML) algorithms hold promise to improve such process representations but tend to extrapolate poorly to climate regimes that they were not trained on. To get the best of the physical and statistical worlds, we propose a framework, termed “climate-invariant” ML, incorporating knowledge of climate processes into ML algorithms, and show that it can maintain high offline accuracy across a wide range of climate conditions and configurations in three distinct atmospheric models. Our results suggest that explicitly incorporating physical knowledge into data-driven models of Earth system processes can improve their consistency, data efficiency, and generalizability across climate regimes.

54 ENVIRONMENTAL SCIENCES↗

ClimSim: A large multi-scale dataset for hybrid physics-ML climate emulation

Modern climate projections lack adequate spatial and temporal resolution due to computational constraints. A consequence is inaccurate and imprecise predictions of critical processes such as storms. Hybrid methods that combine physics with machine learning (ML) have introduced a new generation of higher fidelity climate simulators that can sidestep Moore’s Law by outsourcing compute-hungry, short, high-resolution simulations to ML emulators. However, this hybrid ML-physics simulation approach requires domain-specific treatment and has been inaccessible to MLexperts because of lack of training data and relevant, easy-to-use workflows. Wepresent ClimSim, the largest-ever dataset designed for hybrid ML-physics research. It comprises multi-scale climate simulations, developed by a consortium of climate scientists and ML researchers. It consists of 5.7 billion pairs of multivariate input and output vectors that isolate the influence of locally-nested, high-resolution, high-fidelity physics on a host climate simulator’s macro-scale physical state. The dataset is global in coverage, spans multiple years at high sampling frequency, and is designed such that resulting emulators are compatible with downstream coupling into operational climate simulators. We implement a range of deterministic and stochastic regression baselines to highlight the ML challenges and their scoring. The data (https://huggingface.co/datasets/LEAP/ClimSim_high-res2) and code(https://leap-stc.github.io/ClimSim)arereleasedopenlytosupport the development of hybrid ML-physics and high-fidelity climate simulations for the benefit of science and society.

artificial intelligence, machine learning↗

Expanding the Material Search Space for Multivalent Cathodes

Multivalent batteries are an energy storage technology with the potential to surpass lithium-ion batteries; however, their performance have been limited by the low voltages and poor solid-state ionic mobility of available cathodes. A computational screening approach to identify high-performance multivalent intercalation cathodes among materials that do not contain the working ion of interest has been developed, which greatly expands the search space that can be considered for material discovery. This approach has been applied to magnesium cathodes as a proof of concept, and four resulting candidate materials [NASICON V 2 (PO 4 ) 3 , birnessite NaMn 4 O 8 , tavorite MnPO 4 F, and spinel MnO 2 ] are discussed in further detail. In examining the ion migration environment and associated Mg 2+ migration energy in these materials, local energy maxima are found to correspond with pathway positions where Mg 2+ passes through a plane of anion atoms. While previous studies have established the influence of local coordination on multivalent ion mobility, these results suggest that considering both the type of the local bonding environment and available free volume for the mobile ion along its migration pathway can be significant for improving solid-state mobility.

25 ENERGY STORAGE↗

Zeolite Membrane Reactor for Pre-Combustion Carbon Dioxide Capture

Water-gas shift (WGS) reaction followed by carbon dioxide (CO 2 ) separation is a critical step in the integrated gasification combined cycle (IGCC) process for fossil-fuel-fired electrical power generation with CO 2 capture. To intensify the IGCC process hydrogen-permselective zeolite membrane reactor offers promise to replace the conventional energy-intensive fixed-bed reactors and solvent-based CO 2 capture units. The objectives of this project were to develop a bench-scale zeolite membrane reactor (total membrane area: 932 cm 2 for a 21-tube membrane bundle) for the water-gas-shift reaction of raw syngas from an oxygen-blown coal-gasifier for H 2 production with simultaneous CO 2 separation at the capability of about 2 kilograms H 2 per day (equivalent to 2 kW IGCC power plant) and to demonstrate significant progress toward achieving overall performance goal of 90% CO 2 capture rate with 95% CO 2 purity at the cost of electricity 30% less than the baseline carbon capture approaches. This report summarizes results obtained in this project on scaling up the zeolite membrane reactor by a factor of 200 in membrane area, tests of the bench-scale zeolite membrane reactor for the water-gas-shift reaction at high temperature and high-pressure, and techno-economic analysis of the integration of the zeolite membrane reactor in IGCC power plant for the electrical generation with CO 2 capture.

20 FOSSIL-FUELED POWER PLANTS↗

Development of Nano-crystalline Doped-Ceramic Enabled Fiber Sensors for High Temperature In-Situ Monitoring of Fossil Fuel Gases

This is a final technical report for the first project year from July 1, 2005 to Jan 31, 2012 for DoE/NETL funded project DE-FC26-05NT42439: Development of Nanocrystalline Doped-Ceramic Enabled Fiber Sensors for High Temperature In-Situ Monitoring of Fossil Fuel Gases. This report summarizes the technical progresses and achievements towards the development of novel nanocrystalline doped ceramic material-enabled optical fiber sensors for in situ and real time monitoring the gas composition of flue or hot gas streams involved in fossil-fuel based power generation and hydrogen production.

36 MATERIALS SCIENCE↗

2010 Membranes: Materials & Processes Gordon Research Conference

The GRC series on Membranes: Materials and Processes have gained significant international recognition, attracting leading experts on membranes and other related areas from around the world. It is now known for being an interdisciplinary and synergistic meeting. The next summer's edition will keep with the past tradition and include new, exciting aspects of material science, chemistry, chemical engineering, computer simulation with participants from academia, industry and national laboratories. This edition will focus on cutting edge topics of membranes for addressing several grand challenges facing our society, in particular, energy, water, health and more generally sustainability. During the technical program, we want to discuss new membrane structure and characterization techniques, the role of advanced membranes and membrane-based processes in sustainability/environment (including carbon dioxide capture), membranes in water processes, and membranes for biological and life support applications. As usual, the informal nature of the meeting, excellent quality of the oral presentations and posters, and ample opportunity to meet many outstanding colleagues make this an excellent conference for established scientists as well as for students. A Gordon Research Seminar (GRS) on the weekend prior to the GRC meeting will provide young researchers an opportunity to present their work and network with outstanding experts. It will also be a right warm-up for the conference participants to join and enjoy the main conference.

36 MATERIALS SCIENCE↗