Article
Mechanics
Wei He, Maolin Liu, Xiangjun Peng, Fengxian Xin, Tian Jian Lu
Summary: Experimental results show that surface roughness can improve the sound absorption performance of porous materials. Through numerical simulations, it has been found that petal shaped tubes reduce acoustic transport parameters, leading to enhanced sound absorption compared to smooth tubes.
Article
Electrochemistry
Tuan-Tu Nguyen, Bruno Delobel, Arnaud Demortiere, Charles Delacourt
Summary: This paper discusses the use of two physics-based models to analyze the discharge performance of high-energy-density electrodes. The analysis reveals a significant discrepancy between the actual discharge performance and the results predicted by the regular Newman pseudo-2D model, which does not consider particle agglomeration effects. By introducing an extension of the Newman model that accounts for agglomeration effects, the discharge rate capabilities of industry-grade electrodes with different electrolytes can be validated. The simulation results indicate that mitigating agglomeration effects can greatly improve the rate performance of high-energy electrodes at high C-rates.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2022)
Article
Physics, Fluids & Plasmas
Soichiro Shimotori, Toshihiro Kaneko, Yuta Yoshimoto, Ikuya Kinefuchi, Amer Alizadeh, Wei-Lun Hsu, Hirofumi Daiguji
Summary: This study evaluates pore structures and gas transport properties in porous separators for polymer electrolyte fuel cells through experiments and simulations. Experimental measurements include gas permeabilities and pore size distributions of porous samples, while simulations calculate diffusion coefficients and air permeability, showing good agreement with experimental values. Additionally, simulations reveal differences in permeability between conventional and low-resistivity samples.
Article
Chemistry, Inorganic & Nuclear
Sergey N. Marshenya, Artem D. Dembitskiy, Dmitry S. Fedorov, Alexey G. Scherbakov, Ivan A. Trussov, Olga Emelianova, Dmitry A. Aksyonov, Anton L. Buzlukov, Nikolai A. Zhuravlev, Tatiana A. Denisova, Nadezhda I. Medvedeva, Artem M. Abakumov, Evgeny V. Antipov, Stanislav S. Fedotov
Summary: This paper reports a new member of the KTiOPO4-structured materials, NaGaPO4F, with sodium-ion conductivity. The study investigated the sodium-ion mobility in NaGaPO4F using a combination of experimental and computational methods.
DALTON TRANSACTIONS
(2023)
Article
Electrochemistry
Michael K. G. Bauer, J. R. Dahn
Summary: This study demonstrates that the overhang of the negative electrode in modern lithium-ion cells can cause long-lasting electrolyte concentration gradients after discharge or charge, as it takes time for the lithium content in the overhang region to equilibrate with the bulk of the negative electrode. The research findings show that this phenomenon can be utilized to differentiate between graphite electrodes with high and low tortuosity.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2021)
Article
Nanoscience & Nanotechnology
Zhongwu Li, Rahul Prasanna Misra, Yuhao Li, Yun-Chiao Yao, Sidi Zhao, Yuliang Zhang, Yunfei Chen, Daniel Blankschtein, Aleksandr Noy
Summary: Experimental measurements and molecular dynamics simulations show that the Nernst-Einstein relation breaks down in narrow carbon nanotube porins. K+ ion diffusion is three orders of magnitude slower in these channels due to the disintegration of water chains and the formation of K+-water clusters. This study reveals two distinct mechanisms for ion diffusion and electromigration, leading to the breakdown of the overall Nernst-Einstein relation.
NATURE NANOTECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Lin Zhou, Zhen Cao, Jiao Zhang, Hraoran Cheng, Gang Liu, Geon-Tae Park, Luigi Cavallo, Limin Wang, Husam N. Alshareef, Yang-Kook Sun, Jun Ming
Summary: Alloying anodes have high capacity in potassium-ion batteries, but their capacity fading has limited practical applications. This study demonstrates that an antimony alloy anode can be stabilized by electrolyte engineering, delivering high and stable capacities without the need for nanostructural engineering or carbon modification. By tuning the K+ solvation structure through electrolyte composition, the study presents a new guideline for stabilizing metal-ion batteries using alloying anodes.
ADVANCED MATERIALS
(2021)
Article
Electrochemistry
Brajesh Kumar Kanchan, Pitambar R. Randive
Summary: The study highlights the significant improvement in the performance of Lithium-ion battery with non-uniform particle distribution, especially during ultra-fast charging. Additionally, the capacity and specific power of the cell are found to be maximum when particle size decreases along the electrode length.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Thilo Heckmann, Jochen C. Eser, Andreas Altvater, Johannes Dorr, Hannah Lepere, Philip Scharfer, Wilhelm Schabel
Summary: A precise understanding of mass transport kinetics in battery electrodes' porous structure is crucial for optimizing their post-drying process. This process involves moisture management, which is cost intensive, to adjust and remove residual water from electrodes. The amount of residual moisture also affects device performance. In this study, the mass transport in the interparticle gas phase is investigated using a magnetic suspension balance. Experimental data and simulations show that Stefan diffusion and Knudsen diffusion play significant roles in the mass transport process.
Article
Chemistry, Physical
Hao Wang, Guogang Yang, Shian Li, Qiuwan Shen, Jiadong Liao, Ziheng Jiang, Mayken Espinoza-Andaluz, Fengmin Su, Xinxiang Pan
Summary: In this paper, the lattice Boltzmann method was used to investigate the permeability and internal fluid behavior of the gas diffusion layer. It was found that a linear porosity gradient distribution resulted in higher permeability values compared to other types, and optimal porosity gradient distributions at specific porosities led to enhanced permeability.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Engineering, Chemical
Alex Guo, William C. Marshall, Corey C. Woodcock, Joel L. Plawsky
Summary: This study explores the use of mazes as abstract representations to study the configuration problem in two-phase systems. It is shown that desired performance can be achieved by tuning the settings of the maze algorithm. Additionally, the study demonstrates that the optimization of surrogate maze geometry can guide the design of engineered systems.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Energy & Fuels
Zantong Hu, Yonghong Deng, Jingxuan Li, Xiaojun Wu, Jinmei Bai, Junqiang Tian
Summary: This study investigates the micro transport mechanisms of shale matrix by analyzing the pressure drop curves under high- and low-pressure experimental conditions. The results show that slippage effect and Knudsen diffusion are the main mechanisms controlling the micro transport of shale matrix.
FRONTIERS IN ENERGY RESEARCH
(2023)
Article
Thermodynamics
Bowen Hu, Jianguo Wang, Zhanguo Ma, Shuxun Sang
Summary: This study focuses on the permeability and thermal conductivity of shale matrix with a bundle of tortuous fractal tree-like micropore networks. New models are developed to accurately predict gas transport and heat transfer in such complex pore structures, with the permeability model showing higher accuracy compared to traditional models. Various parameters such as tortuosity fractal dimension, radius fractal dimension, length ratio, and radius ratio have significant impacts on permeability and thermal conductivity, while branching angle is found to have an insignificant effect on these properties.
INTERNATIONAL JOURNAL OF THERMAL SCIENCES
(2021)
Article
Chemistry, Applied
Mengfei Ding, Xuning Feng, Yong Peng, Jingjing Tong, Bowen Hou, Yalan Xing, Weifeng Zhang, Li Wang, Yu Wu, Jiabin Lv, Chunyan Luo, Dejun Xiong, Shichao Zhang, Minggao Ouyang
Summary: A multifunctional high-safety electrolyte is designed to limit the thermal runaway of lithium-ion batteries through the synergistic construction of the cathode electrolyte interphase and the capture of reactive free radicals. This strategy significantly improves the intrinsic safety of the battery and enhances its electrochemical performance.
JOURNAL OF ENERGY CHEMISTRY
(2023)
Article
Chemistry, Physical
Oliver R. Gittus, Fernando Bresme
Summary: Temperature gradients induce mass separation in mixtures in a process called thermodiffusion, and the Soret coefficient is used to quantify this phenomenon. The existence of minima in the Soret coefficient of aqueous solutions at specific salt concentrations has been controversial, but recent experiments and simulations have provided evidence for it. However, it is still unknown what causes this minimum and whether it is also present in non-aqueous liquid mixtures. In this study, we demonstrate the generality of minima in the Soret coefficient by observing it in liquid mixtures of non-polar liquids modeled as Lennard-Jones mixtures. This minimum is found to originate from a coincident minimum in the thermodynamic factor, indicating a maximization of non-ideality mixing conditions. We propose that the atomic coordination structure of the mixtures is responsible for this effect.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Engineering, Electrical & Electronic
Yi Chen, Oksana Guba, Carlton F. Brooks, Christine C. Roberts, Bart G. van Bloemen Waanders, Martin B. Nemer
IEEE TRANSACTIONS ON MAGNETICS
(2017)
Article
Engineering, Chemical
Martin B. Nemer, Christine C. Roberts, Lindsey G. Hughes, Nicholas B. Wyatt, Carlton F. Brooks, Rekha Rao
Article
Computer Science, Interdisciplinary Applications
Rekha Rao, Lisa Mondy, David Noble, Victor Brunini, Kevin Long, Christine Roberts, Nick Wyatt, Mathew Celina, Kyle Thompson, James Tinsley
COMPUTERS & FLUIDS
(2018)
Article
Mechanics
Christine C. Roberts, Scott A. Roberts, Martin B. Nemer, Rekha R. Rao
Article
Thermodynamics
Alexander J. Headley, Michael B. Hileman, Aron S. Robbins, Edward S. Piekos, Emily K. Stirrup, Christine C. Roberts
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2019)
Article
Thermodynamics
Alexander Headley, Michael Hileman, Aron Robbins, Edward Piekos, Patrick Fleig, Adam Martinez, Christine Roberts
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2019)
Article
Chemistry, Multidisciplinary
Alexander P. Moore, Martin B. Nemer, Mark A. Rodriguez, Christine C. Roberts, Patrick F. Fleig, Hans W. Papenguth
Summary: This study investigates the quantitative capability of XRD for determining crystallite sizes of magnesium oxide nanocrystals by comparing the precision, accuracy, and uncertainty of whole pattern weighted least-squares and Williamson-Hall methods. It found that the WP method was more accurate and reliable for quantitative crystallite size determinations than the WH method.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2021)
Article
Engineering, Chemical
Weston Ortiz, Lisa Mondy, Christine Roberts, Rekha Rao
Summary: The study presents a computational model for water-blown polyurethane foam that tracks bubble size distributions during foaming by adding bubble-scale information via a population balance equation. The model, implemented using finite element software with arbitrary Lagrangian-Eulerian interface tracking, shows good agreement with experimental data in terms of dynamics, bubble distributions, and post-test bubble size and density measurements.
Article
Engineering, Chemical
Christine Roberts, Lisa Mondy, Grant Soehnel, Casper Brady, Bion Shelden, Melissa Soehnel, Robert Garcia, Weston Ortiz, Rekha Rao
Summary: This study examines the dynamic filling process of chemically blown polyurethane foams by conducting experiments and analyzing the bubble size distribution. Three experimental methods are used to observe the bubble size evolution, and the results indicate that the bubble size distribution is affected by various factors.
Article
Mechanics
Krutarth M. Kamani, Gavin J. Donley, Rekha Rao, Anne M. Grillet, Christine Roberts, Abhishek Shetty, Simon A. Rogers
Summary: A comprehensive understanding of the sequence of processes exhibited by yield stress fluids under large amplitude oscillatory shearing is achieved through multiple experimental and analytical approaches. A novel component rate Lissajous curve is introduced and proven to be useful for analyzing the responses of viscoelastic models. The behaviors of yielding and unyielding are investigated by comparing experimental results with predictions from different models. These methods, including the component rates, the sequence of physical processes analysis, and the time-resolved Pipkin diagrams, consistently identify the same material physics, revealing that yield stress fluids undergo a sequence of physical processes.
JOURNAL OF RHEOLOGY
(2023)
Article
Polymer Science
Elizabeth C. Palmiotti, Christine C. Roberts, Bruce H. King
Summary: The aging of silicon photovoltaic (PV) module packaging is a major factor affecting the service lifetimes of PV modules. This study investigated PV modules with known fielding histories using non-destructive and destructive methods. Differential scanning calorimetry analysis showed differences in the extent of crystallization of the encapsulants between manufacturers and over time. The results have implications for stress development during module aging due to the changes in encapsulant density caused by EVA crystal melting and crosslinking reactions.
JOURNAL OF APPLIED POLYMER SCIENCE
(2023)
Article
Engineering, Chemical
Rekha R. Rao, Lisa A. Mondy, Kevin N. Long, Mathew C. Celina, Nicholas Wyatt, Christine C. Roberts, Melissa M. Soehnel, Victor E. Brunini
Article
Physics, Fluids & Plasmas
Joseph D. Buttacci, Michael Loewenberg, Christine C. Roberts, Martin B. Nemer, Rekha R. Rao
Proceedings Paper
Engineering, Mechanical
Yi Chen, Oksana Guba, Carlton F. Brooks, Christine C. Roberts, Bart G. van Bloemen Waanders, Martin B. Nemer
PROCEEDINGS OF THE ASME 9TH ANNUAL DYNAMIC SYSTEMS AND CONTROL CONFERENCE, 2016, VOL 2
(2017)
Article
Chemistry, Physical
Tianyu Chen, Zhibin Lu, Guangjin Zeng, Yongmin Xie, Jie Xiao, Zhifeng Xu
Summary: The study introduces a high-performance LSGM electrolyte-supported tubular DC-SOFC stack for portable applications, which shows great potential in developing into high-performing, efficient, and environmentally friendly portable power sources for distributed applications.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Wenbin Tong, Yili Chen, Shijie Gong, Shaokun Zhu, Jie Tian, Jiaqian Qin, Wenyong Chen, Shuanghong Chen
Summary: In this study, a three-dimensional porous NiO interface layer with enhanced anode dynamics is fabricated, forming a Schottky contact with the zinc substrate, allowing rapid and uniform zinc plating both inside and below the interface layer. The resulting NiO@Zn exhibits exceptional stability and high capacity retention.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Yafeng Bai, Kaidi Li, Liying Wang, Yang Gao, Xuesong Li, Xijia Yang, Wei Lu
Summary: In this study, a flexible zinc ion supercapacitor with gel electrolytes, porous alpha-MnO2@reduced graphene oxide cathode, and activated carbon/carbon cloth anode was developed. The device exhibits excellent electrochemical performance and stability, even at low temperatures, with a high cycle retention rate after 5000 cycles.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Anmol Jnawali, Matt D. R. Kok, Francesco Iacoviello, Daniel J. L. Brett, Paul R. Shearing
Summary: This article presents the results of a systematic study on the electrochemical performance and mechanical changes in two types of commercial batteries with different anode chemistry. The study reveals that the swelling of anode layers in batteries with silicon-based components causes deformations in the jelly roll structure, but the presence of a small percentage of silicon does not significantly impact the cycling performance of the cells within the relevant state-of-health range for electric vehicles (EVs). The research suggests that there is room for improving the cell capacities by increasing the silicon loading in composite anodes to meet the increasing demands on EVs.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Yohandys A. Zulueta, My Phuong Pham-Ho, Minh Tho Nguyen
Summary: Advanced atomistic simulations were used to study ion transport in the Na- and K-doped lithium disilicate Li2Si2O5. The results showed that Na and K doping significantly enhanced Li ion diffusion and conduction in the material.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Zongying Han, Hui Dong, Yanru Yang, Hao Yu, Zhibin Yang
Summary: An efficient phase inversion-impregnation approach is developed to fabricate BaO-decorated Ni8 mol% YSZ anode-supported tubular solid oxide fuel cells (SOFCs) with anti-coking properties. BaO nanoislands are successfully introduced inside the Ni-YSZ anode, leading to higher peak power densities and improved stability in methane fuel. Density functional theory calculations suggest that the loading of BaO nanoislands facilitates carbon elimination by capturing and dissociating H2O molecules to generate OH.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Suresh Mamidi, Dan Na, Baeksang Yoon, Henu Sharma, Anil D. Pathak, Kisor Kumar Sahu, Dae Young Lee, Cheul-Ro Lee, Inseok Seo
Summary: Li-CO2 batteries, which utilize CO2 and have a high energy density, are hindered in practical applications due to slow kinetics and safety hazards. This study introduces a stable and highly conductive ceramic-based solid electrolyte and a metal-organic framework catalyst to improve the safety and performance of Li-CO2 batteries. The optimized Li-CO2 cell shows outstanding specific capacity and cycle life, and the post-cycling analysis reveals the degradation mechanism of the electrodes. First-principles calculations based on density functional theory are also performed to understand the interactions between the catalyst and the host electrode. This research demonstrates the potential of MOF cathode catalyst for stable operation in Li-CO2 batteries.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Ganghua Xiang, Zhihuan Qiu, Huilong Fei, Zhigang Liu, Shuangfeng Yin, Yuen Wu
Summary: In this study, a CeFeOx-supported Pt single atoms and subnanometric clusters catalyst was developed, which exhibits enhanced catalytic activity and stability for the preferential oxidation of CO in H2-rich stream through synergistic effect.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Dimitrios Chatzogiannakis, Marcus Fehse, Maria Angeles Cabanero, Natalia Romano, Ashley Black, Damien Saurel, M. Rosa Palacin, Montse Casas-Cabanas
Summary: By coupling electrochemical testing to operando synchrotron based X-ray absorption and powder diffraction experiments, blended positive electrodes consisting of LiMn2O4 spinel (LMO) and layered LiNi0.5Mn0.3Co0.2O2 (NMC) were studied to understand their redox mechanism. It was found that blending NMC with LMO can enhance energy density at high rates, with the blend containing 25% LMO showing the best performance. Testing with a special electrochemical setup revealed that the effective current load on each blend component can vary significantly from the nominal rate and also changes with SoC. Operando studies allowed monitoring of the oxidation state evolution and changes in crystal structure, in line with the expected behavior of individual components considering their electrochemical current loads.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Chiara Cementon, Daniel Dewar, Thrinathreddy Ramireddy, Michael Brennan, Alexey M. Glushenkov
Summary: This Perspective discusses the specific power and power density of lithium-ion capacitors, highlighting the fact that their power characteristics are often underestimated. Through analysis, it is found that lithium-ion capacitors can usually achieve power densities superior to electrochemical supercapacitors, making them excellent alternatives to supercapacitors.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Weihao Wang, Hao Yu, Li Ma, Youquan Zhang, Yuejiao Chen, Libao Chen, Guichao Kuang, Liangjun Zhou, Weifeng Wei
Summary: This study achieved an improved electrolyte with excellent low-temperature and high-voltage performance by regulating the Li+ solvation structure and highly concentrating it. The electrolyte exhibited outstanding oxidation potential and high ionic conductivity under low temperature and high voltage conditions, providing a promising approach for the practical application of high-voltage LIBs.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Martin Bures, Dan Gotz, Jiri Charvat, Milos Svoboda, Jaromir Pocedic, Juraj Kosek, Alexandr Zubov, Petr Mazur
Summary: Vanadium redox flow battery is a promising energy storage solution with long-term durability, non-flammability, and high overall efficiency. Researchers have developed a mathematical model to simulate the charge-discharge cycling of the battery, and found that hydraulic connection of electrolyte tanks is the most effective strategy to reduce capacity losses, achieving a 69% reduction.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
M. Rodriguez-Gomez, J. Campo, A. Orera, F. de La Fuente, J. Valenciano, H. Fricke, D. S. Hussey, Y. Chen, D. Yu, K. An, A. Larrea
Summary: In this study, we analysed the operando performance of industrial lead cells using neutron diffraction experiments. The experiments revealed the evolution of different phases in the positive electrode, showed significant inhomogeneity of phase distribution inside the electrode, and estimated the energy efficiency of the cells.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Jiawei Liu, Chenpeng Wang, Yue Yao, Hao Ye, Yinglong Liu, Yingli Liu, Xiaoru Xu, Zhicong Chen, Huazheng Yang, Gang Wu, Libin Lei, Chao Wang, Bo Liang
Summary: The study focuses on utilizing double conductive Ni-pads as anode collectors in micro-tubular solid oxide fuel cells. The simulation results show excellent performance and stability of DCNPs, and also highlight the potential applications in various fields.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Yang Wang, Kangjie Zhou, Lang Cui, Jiabing Mei, Shengnan Li, Le Li, Wei Fan, Longsheng Zhang, Tianxi Liu
Summary: This study presents a polyimide sandwiched separator (s-PIF) for improving the cycling stability of Li-metal batteries. The s-PIF separator exhibits superior mechanical property, electrolyte adsorption/retention and ion conductivity, and enables dendrite-free Li plating/stripping process.
JOURNAL OF POWER SOURCES
(2024)