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5,492 result(s) for "Dawson, James A"
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Fundamentals of inorganic solid-state electrolytes for batteries
In the critical area of sustainable energy storage, solid-state batteries have attracted considerable attention due to their potential safety, energy-density and cycle-life benefits. This Review describes recent progress in the fundamental understanding of inorganic solid electrolytes, which lie at the heart of the solid-state battery concept, by addressing key issues in the areas of multiscale ion transport, electrochemical and mechanical properties, and current processing routes. The main electrolyte-related challenges for practical solid-state devices include utilization of metal anodes, stabilization of interfaces and the maintenance of physical contact, the solutions to which hinge on gaining greater knowledge of the underlying properties of solid electrolyte materials.
Optimizing Li‐Ion Transport in LaCl3−xBrx Solid Electrolytes Through Anion Mixing
ABSTRACT Solid‐state batteries based on versatile halide solid electrolytes with outstanding ionic conductivity, electrode compatibility, and stability are attracting significant research attention. Recent experimental studies have illustrated the outstanding performance of LaCl3 as a solid electrolyte capable of conducting Li ions through its one‐dimensional channels that can be interconnected into a three‐dimensional network through the creation of La vacancies. In this work, we present a composition optimization strategy for maximizing the Li‐ion conductivity in LaCl3−xBrx solid electrolytes based on density functional theory and ab initio molecular dynamics simulations. Our simulations show LaCl2.5Br0.5 to have a remarkable Li‐ion conductivity of 66 mS cm−1 at 300 K and the lowest activation energy of 0.10 eV, followed by LaCl0.5Br2.5 with values of 14 mS cm−1 and 0.13 eV, respectively. Both these compositions are predicted to be easily synthesizable, have large band gaps, and are likely to be of experimental interest given their outstanding Li‐ion transport properties. Our results highlight the potential for enhanced Li‐ion conductivity in LaCl3−xBrx solid electrolytes that can be achieved through anion mixing. Utilizing a composition optimization strategy based on halide mixing in LaCl3−xBrx solid electrolytes, we predict LaCl2.5Br0.5 to be a highly promising candidate for solid‐state batteries because of its remarkable Li‐ion conductivity of 66 mS cm−1 at 300 K, low activation energy of 0.10 eV, large band gap of 5.1 eV, and expected facile synthesis.
Elucidating oxide-ion and proton transport in ionic conductors using machine learning potentials
The design and understanding of oxide-ion and proton transport in solid electrolytes are pivotal to the development of fuel cells that can operate at reduced temperatures of <600  ∘ C. Atomistic modelling and machine learning are playing ever more crucial roles in achieving this objective. In this study, using passive and active learning techniques, we develop moment tensor potentials (MTPs) for two promising ionic conductors, namely, Ba 7 Nb 4 MoO 20 and Sr 3 V 2 O 8 . Our MTPs accurately reproduce ab initio molecular dynamics data and demonstrate strong agreement with density functional theory calculations for forces, energies and stresses. They successfully predict diffusion coefficients and conductivities for both oxide ions and protons, showing excellent agreement with experimental data and ab initio molecular dynamics results. Additionally, the MTPs accurately estimate migration barriers, thereby underscoring their robustness and transferability. Our findings highlight the potential of MTPs in significantly reducing computational costs while maintaining high accuracy, making them invaluable for simulating complex ion transport mechanisms and supporting the development of next-generation solid oxide fuel cells.
Reliable and Robust Observer for Simultaneously Estimating State-of-Charge and State-of-Health of LiFePO4 Batteries
Batteries are everywhere, in all forms of transportation, electronics, and constitute a method to store clean energy. Among the diverse types available, the lithium-iron-phosphate (LiFePO4) battery stands out for its common usage in many applications. For the battery’s safe operation, the state of charge (SOC) and state of health (SOH) estimations are essential. Therefore, a reliable and robust observer is proposed in this paper which could estimate the SOC and SOH of LiFePO4 batteries simultaneously with high accuracy rates. For this purpose, a battery model was developed by establishing an equivalent-circuit model with the ambient temperature and the current as inputs, while the measured output was adopted to be the voltage where current and terminal voltage sensors are utilized. Another vital contribution is formulating a comprehensive model that combines three parts: a thermal model, an electrical model, and an aging model. To ensure high accuracy rates of the proposed observer, we adopt the use of the dual extend Kalman filter (DEKF) for the SOC and SOH estimation of LiFePO4 batteries. To test the effectiveness of the proposed observer, various simulations and test cases were performed where the construction of the battery system and the simulation were done using MATLAB. The findings confirm that the best observer was a voltage-temperature (VT) observer, which could observe SOC accurately with great robustness, while an open-loop observer was used to observe the SOH. Furthermore, the robustness of the designed observer was proved by simulating ill-conditions that involve wrong initial estimates and wrong model parameters. The results demonstrate the reliability and robustness of the proposed observer for simultaneously estimating the SOC and SOH of LiFePO4 batteries.
Defect-driven anomalous transport in fast-ion conducting solid electrolytes
Solid-state ionic conduction is a key enabler of electrochemical energy storage and conversion. The mechanistic connections between material processing, defect chemistry, transport dynamics and practical performance are of considerable importance but remain incomplete. Here, inspired by studies of fluids and biophysical systems, we re-examine anomalous diffusion in the iconic two-dimensional fast-ion conductors, the β- and β″-aluminas. Using large-scale simulations, we reproduce the frequency dependence of alternating-current ionic conductivity data. We show how the distribution of charge-compensating defects, modulated by processing, drives static and dynamic disorder and leads to persistent subdiffusive ion transport at macroscopic timescales. We deconvolute the effects of repulsions between mobile ions, the attraction between the mobile ions and charge-compensating defects, and geometric crowding on ionic conductivity. Finally, our characterization of memory effects in transport connects atomistic defect chemistry to macroscopic performance with minimal assumptions and enables mechanism-driven ‘atoms-to-device’ optimization of fast-ion conductors. Solid-state ionic conduction is a key enabler of electrochemical energy storage and conversion. A quantitative framework for ionic conduction between atomistic and macroscopic timescales in β- and β″-aluminas is now proposed for ‘atoms-to-device’ multiscale modelling and optimization.
The persistence of memory in ionic conduction probed by nonlinear optics
Predicting practical rates of transport in condensed phases enables the rational design of materials, devices and processes. This is especially critical to developing low-carbon energy technologies such as rechargeable batteries 1 – 3 . For ionic conduction, the collective mechanisms 4 , 5 , variation of conductivity with timescales 6 – 8 and confinement 9 , 10 , and ambiguity in the phononic origin of translation 11 , 12 , call for a direct probe of the fundamental steps of ionic diffusion: ion hops. However, such hops are rare-event large-amplitude translations, and are challenging to excite and detect. Here we use single-cycle terahertz pumps to impulsively trigger ionic hopping in battery solid electrolytes. This is visualized by an induced transient birefringence, enabling direct probing of anisotropy in ionic hopping on the picosecond timescale. The relaxation of the transient signal measures the decay of orientational memory, and the production of entropy in diffusion. We extend experimental results using in silico transient birefringence to identify vibrational attempt frequencies for ion hopping. Using nonlinear optical methods, we probe ion transport at its fastest limit, distinguish correlated conduction mechanisms from a true random walk at the atomic scale, and demonstrate the connection between activated transport and the thermodynamics of information. Single-cycle terahertz pumps are used to impulsively trigger ionic hopping in battery solid electrolytes, probing ion transport at its fastest limit and demonstrating the connection between activated transport and the thermodynamics of information.
FBI: Partner With Us to Fight Hackers
While media attention has been significantly focused on ransomware during the past year, the FBI's Internet Crime Complaint Center (IC3) issued an annual report demonstrating business email compromise (BEC) schemes cost U.S. businesses over $2 billion last year alone. State actors of China exploited a vulnerability in Microsoft Exchange Server software to compromise thousands of U.S. computers and install web shells - back doors that allowed them to come and go into victim networks as they pleased. Many conclusions may be gathered from this example of partnership between the FBI and private industry, and from the perspective of the FBI the key takeaways are these: if Arkansas businesses and organizations don't report cyber incidents, we can't provide the resources to help.
Osimertinib Resistance via Histologic Transformation From Non-small Cell Lung Carcinoma to Carcinosarcoma
Resistance to tyrosine kinase inhibitors (TKIs) in non-small cell lung carcinoma (NSCLC) remains a significant clinical challenge. Osimertinib, a third-generation TKI, has demonstrated efficacy in overcoming resistance, but novel resistance mechanisms continue to emerge. This case report presents a unique instance of histologic transformation from NSCLC to carcinosarcoma, representing a previously unreported manifestation of osimertinib resistance. We describe the clinical course of a 63-year-old female with epidermal growth factor receptor (EGFR)-mutant NSCLC who initially responded to osimertinib but eventually developed carcinosarcoma. The transformation was associated with additional EGFR mutations and alterations in RB and TP53. Despite aggressive treatment, the patient's condition deteriorated, emphasizing the limited therapeutic options for carcinosarcoma. This case underscores the need for further research to elucidate the molecular mechanisms behind histologic transformation and explore novel therapeutic strategies to address osimertinib resistance in NSCLC. Understanding and addressing these mechanisms are crucial for improving outcomes in patients facing this challenging form of resistance.
Optimizing Li‐Ion Transport in LaCl 3− x Br x Solid Electrolytes Through Anion Mixing
Solid‐state batteries based on versatile halide solid electrolytes with outstanding ionic conductivity, electrode compatibility, and stability are attracting significant research attention. Recent experimental studies have illustrated the outstanding performance of LaCl 3 as a solid electrolyte capable of conducting Li ions through its one‐dimensional channels that can be interconnected into a three‐dimensional network through the creation of La vacancies. In this work, we present a composition optimization strategy for maximizing the Li‐ion conductivity in LaCl 3− x Br x solid electrolytes based on density functional theory and ab initio molecular dynamics simulations. Our simulations show LaCl 2.5 Br 0.5 to have a remarkable Li‐ion conductivity of 66 mS cm −1 at 300 K and the lowest activation energy of 0.10 eV, followed by LaCl 0.5 Br 2.5 with values of 14 mS cm −1 and 0.13 eV, respectively. Both these compositions are predicted to be easily synthesizable, have large band gaps, and are likely to be of experimental interest given their outstanding Li‐ion transport properties. Our results highlight the potential for enhanced Li‐ion conductivity in LaCl 3− x Br x solid electrolytes that can be achieved through anion mixing. image