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At least 73 records · Page 4

Green Additive Limits Runaway Crystallinity in PM6:Y6 Organic Solar Cells but Causes Field-Independent Geminate Recombination

Solvent additives are well-established for improving device performance of organic solar cells by enhancing nanodomain phase separation and crystallization. However, optimum additive concentrations are typically at trace amounts with slight fluctuations causing runaway crystallinity that short the device and limit scale-up potential. Furthermore, we show that a nonhalogenated solvent additive 1-phenylnaphthalene (PN) can be used to optimize high-performance PM6:Y6 devices, but without runaway crystallinity even at concentrations 10× above the optimum. Our holistic analysis of device losses shows that PN increases photoabsorption while decreasing bimolecular recombination. However, above the optimum, charge generation is reduced due to field-independent geminate recombination of charge transfer states that overcomes the other benefits. Rotated Y6 crystallite orientation is a likely culprit, where the device electric field is ineffective at separating the charges. Despite this, device performance remains higher than that of traditional additives, indicating a route to avoiding the high sensitivity of performance to processing conditions.

14 SOLAR ENERGY↗

Predicting the heat release variability of Li-ion cells under thermal runaway with few or no calorimetry data

Accurate measurement of the variability of thermal runaway behavior of lithium-ion cells is critical for designing safe battery systems. However, experimentally determining such variability is challenging, expensive, and time-consuming. Here, we utilize a transfer learning approach to accurately estimate the variability of heat output during thermal runaway using only ejected mass measurements and cell metadata, leveraging 139 calorimetry measurements on commercial lithium-ion cells available from the open-access Battery Failure Databank. We show that the distribution of heat output, including outliers, can be predicted accurately and with high confidence for new cell types using just 0 to 5 calorimetry measurements by leveraging behaviors learned from the Battery Failure Databank. Fractional heat ejection from the positive vent, cell body, and negative vent are also accurately predicted. We demonstrate that by using low cost and fast measurements, we can predict the variability in thermal behaviors of cells, thus accelerating critical safety characterization efforts.

25 ENERGY STORAGE↗

Dust-void evolution driven by turbulent dust flux can induce runaway migration of Earth-mass planets

Torques from asymmetric dust structures (so-called dust-void and filamentary structures) formed around low-mass planets embedded in a nonturbulent dust-gas disk can exceed the torques produced by the gas disk component and then go on to dominate the planet’s orbital dynamics. Here, we investigate how these structures (hence the dust torque) change when the effect of turbulent dust diffusion and dust feedback are included, along with the direct implications on the migration of Earth-like planets. Using the FARGO3D code, we performed 2D and 3D multifluid hydrodynamic simulations, focusing on a non-migrating planet with a mass of M p = 1.5 M ⊕ in 2D and on migrating planets with M p ∈ [1.5, 12] M ⊕ in 3D. We varied the δ-dimensionless diffusivity parameter in the range [0, 3 × 10 −3 ] and considered three different Stokes numbers, St = {0.04, 0.26, 0.55}, which are representative of the gas-dominated, the transitional, and the gravity-dominated regimes, respectively. In our 2D models, we find that turbulent diffusion of dust prevents the formation of the dust-void and filamentary structures when δ > 3 × 10 −4 . Otherwise, dust structures survive turbulent diffusion flow. However, dust and total torques become positive only in transitional and gravity-dominated regimes. In our 3D models, we find that the dust-void is drastically modified and the high-density ring-shaped barrier delineating the dust-void disappears if δ ≳ 10 −4 , due to the effect of dust turbulent diffusion along with the back-reaction of the dust. For all values of δ, the filament in front of the planet is replaced by a low-density trench. Remarkably, as we have allowed the planets to migrate, the evolving dust-void can drive either runaway migration or outward (inward) oscillatory-torque migration. Our study thus suggests that low-mass Earth-like planets can undergo runaway migration in dusty disks.

79 ASTRONOMY AND ASTROPHYSICS↗

The constraint of plasma power balance on runaway avoidance

Abstract In a post-thermal-quench plasma, mitigated or unmitigated, the plasma power balance is mostly between collisional or Ohmic heating and plasma radiative cooling. In a plasma of atomic mixture { n α } with α labeling the atomic species, the power balance sets the plasma temperature, ion charge state distribution { n α i } with i the charge number, and through the electron temperature T e and ion charge state distribution { n α i } , the parallel electric field E ∥ . Since the threshold electric field for runaway avalanche growth E a v is also set by the atomic mixture, ion charge state distribution and its derived quantity, the electron density n e , the plasma power balance between Ohmic heating and radiative cooling imposes a stringent constraint on the plasma regime for avoiding and minimizing runaways when a fusion-grade tokamak plasma is rapidly terminated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Analysis of runaway electron driven whistler wave instability experiments

Data acquired on the DIII-D tokamak were analyzed. The data are from experiments that were conducted to study an instability that is driven unstable by intense populations of electrons with MeV energies that are known as runaway electrons. The instability is a type of plasma wave called a whistler wave that occurs at frequencies above the ion cyclotron frequency but well below the electron cyclotron frequency. The waves were measured by magnetic fluctuation coils that are embedded in the DIII-D vacuum vessel wall. After upgrades to this diagnostic were completed, new experiments were conducted on July 13, 2020 in order to measure the toroidal mode number of the whistler waves and to extend the frequency of the detected waves. Through the use of mixers, instability between 600-700 MHz was detected. (The initial experiments only measured up to 200 MHz.) Analysis of the data was led by Hari Choudhury, a PhD student at Columbia University. Mr. Choudhury has submitted two papers for publication that include contributions by UC Irvine (UCI) Professor Heidbrink and his graduated PhD student Genevieve DeGrandchamp: “Detailed Characterization of Runaway Electron Driven Whistler Waves in Low-Density DIII-D Discharges” and “First Demonstration of Resonant Pitch-Angle Scattering of Relativistic Electrons by Externally-Launched Helicon Waves.” The first paper, which has been submitted to Physics of Plasmas, has significant contributions to both the data and the interpretation by UCI scientists. In contrast, UCI contributions to the second paper, which has been submitted to Physical Review Letters, are relatively minor.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Computational study of runaway electrons in MST tokamak discharges with applied resonant magnetic perturbation

A numerical study of magnetohydrodynamics (MHD) and tracer-particle evolution investigates the effects of resonant magnetic perturbations (RMPs) on the confinement of runaway electrons (REs) in tokamak discharges conducted in the Madison Symmetric Torus. In computational results of applying RMPs having a broad toroidal spectrum but a single poloidal harmonic, m = 1 RMP does not suppress REs, whereas m = 3 RMP achieves significant deconfinement but not the complete suppression obtained in the experiment. MHD simulations with the NIMROD code produce sawtooth oscillations, and the associated magnetic reconnection can affect the trajectory of REs starting in the core region. Simulations with m = 3 RMP produce chaotic magnetic topology over the outer region, but the m = 1 RMP produces negligible changes in field topology, relative to applying no RMP. Using snapshots of the MHD simulation fields, full-orbit relativistic electron test particle computations with KORC show ≈50% loss from the m = 3 RMP compared to the 10%–15% loss from the m = 1 RMP. Here, test particle computations of the m = 3 RMP in the time-evolving MHD simulation fields show correlation between MHD activity and late-time particle losses, but total electron confinement is similar to computations using magnetic-field snapshots.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermal Runaway of Nonflammable Localized High‐Concentration Electrolytes for Practical LiNi 0.8 Mn 0.1 Co 0.1 O 2 |Graphite‐SiO Pouch Cells

Abstract With continuous improvement of batteries in energy density, enhancing their safety is becoming increasingly urgent. Herein, practical high energy density LiNi 0.8 Mn 0.1 Co 0.1 O 2 |graphite‐SiO pouch cell with nonflammable localized high concentration electrolyte (LHCE) is proposed that presents unique self‐discharge characteristic before thermal runaway (TR), thus effectively reducing safety hazards. Compared with the reference electrolyte, pouch cell with nonflammable LHCE can increase self‐generated heat temperature by 4.4 °C, increase TR triggering temperature by 47.3 °C, decrease the TR highest temperature by 71.8 °C, and extend the time from self‐generated heat to triggering TR by ≈8 h. In addition, the cell with nonflammable LHCE presents superior high voltage cycle stability, attributed to the formation of robust inorganic‐rich electrode–electrolyte interphase. The strategy represents a pivotal step forward for practical high energy and high safety batteries.

36 MATERIALS SCIENCE↗

Observation and Modeling of the Thermal Runaway of High-Capacity Pouch Cells Due to an Internal Short Induced by an Indenter

Owing to the complexity of coupling mechanical and electrical solvers for finite element analysis (FEA) of mechanical abuse of a battery, the simulation should be performed by incorporating a local short circuit model activated based on the status of battery elements. However, the approach should also consider various other conditions of the battery simulated, such as the initial state of charge (SOC), for precise simulations of the internal short. This study proposes an approach developed with a mechanical model and single-particle battery model, along with a reaction kinetics model for thermal abuse using LS-DYNA. Several key parameters were selected, such as the activation criteria, kinetic abuse and element integration points during the internal short circuit induced by the indenter. The impact of these key parameters in the FEA on thermal runaway response for various initial SOCs from 25 to 100 % were analyzed. The FEA results obtained were compared against experimental results with various parameters such as activation criterion of internal short, kinetic abuse based on accelerating rate calorimetry (ARC) data. Finally, the root causes of the discrepancy between the FEA and experimental results are discussed regarding integration point what solver can make difference during calculation.

ENERGY STORAGE↗

Insights Into Thermal Runaway Mechanisms: Fast Tomography Analysis of Metal Agglomerates in Lithium-Ion Batteries

Thermal Runaway (TR) in lithium-ion batteries (LIB) is a critical technological and social concern. Whilst such events are rare, TR is characterized by uncontrollable heating leading to catastrophic failures. To deepen the understanding of the failure process and subsequently develop more accurate TR prediction models and as a result safer battery systems, we present in this work high-speed X-ray tomography for in-depth investigations of the copper current collector melting and agglomeration during TR. The melting process presents valuable real-time internal information about heat evolution during TR, previously challenging to access but crucially important for validating TR models. In this work, controlled failure studies combined with high-speed X-ray tomography were performed on two different commercial LIB models, subjecting them to both external heating and nail penetration to induce TR. Through real-time observation via high-speed tomography, followed by segmentation, rendering, and analysis, the formation of copper agglomerates was qualitatively and quantitatively characterized and visualized for the first time. Agglomerates tended to form either from the battery's outermost layers or centrally, depending on the method of TR initiation, and gives an indirect insight into the internal temperature evolution and distribution. Moreover, an initial comparative analysis between the battery models also revealed differences in agglomerate size, which has been linked to the thicker copper current collectors of one of the cell models. We further discuss the impact of larger copper agglomerates on heat distribution and safety. This study not only sheds light on the intricate dynamics of TR in LIBs but also underscores the pivotal role of 'gold-standard' imaging techniques in advancing battery safety, crucial for the robust modeling of TR and the future design of electric vehicle safety systems.

25 ENERGY STORAGE↗

4D insights into lithium-ion battery sidewall rupture during thermal runaway

Thermal runaway (TR), characterized by rapid exothermic reactions, presents a serious safety risk in lithium-ion batteries (LiBs). External triggers such as high temperatures, mechanical abuse, or internal short circuits (ISCs) can initiate TR, often resulting in sidewall rupture, which may escalate to catastrophic battery pack failure. In this study, we developed and applied high-speed synchrotron imaging techniques to investigate sidewall rupture mechanisms in LiBs subjected to different triggering scenarios. Using in situ 4D tomographic imaging, we visualized the dynamic evolution of sidewall rupture with high spatial and temporal resolution. The results revealed distinct failure behaviors linked to each trigger, underscoring the complex and condition-specific nature of sidewall breach and battery failure. These insights highlight the critical importance of implementing tailored safety strategies across diverse applications. Our findings demonstrate the powerful potential of synchrotron high-speed tomography as a diagnostic tool for advanced safety testing and cell qualification.

25 ENERGY STORAGE↗

Calculation of collisionless pitch-angle scattering of runaway electrons with synchrotron radiation via high-order guiding-centre equation

Recently, the collisionless pitch-angle scattering for relativistic runaway electrons (REs) in toroidal geometries such as tokamaks was discovered through a full orbit simulation approach (Liu et al., Nucl. Fusion, vol. 56, 2016, p. 064002), and it was then theoretically investigated that a new expression for the magnetic moment, including the second-order corrections, could essentially reproduce the so-called collisionless pitch-angle scattering process (Liu et al., Nucl. Fusion, vol. 58, 2018, p. 106018). In this paper, with synchrotron radiation, extensive numerical verification of the validity of the high-order guiding-centre theory is given for simulations involving REs by incorporating such an expression for the magnetic moment into our particle tracing code. A high-order guiding-centre simulation approach with synchrotron radiation (HGSA) is applied. Synchrotron radiation plays an essential role in the life cycle of REs. The energy of REs first increases and then becomes saturated until the electric field acceleration is balanced by the radiation dissipation. Unfortunately, the process cannot be simulated accurately with the standard guiding-centre model, i.e. the first-order guiding-centre model. Remarkably, it is found that the HGSA can effectively produce the fundamental process of REs. Since the time scale of the energy saturation of REs is close to seconds, the computational cost becomes significant. In order to save costs, it is necessary to estimate the time of energy saturation. An analytical estimate is derived for the time it takes for synchrotron drag to balance an accelerating electric field and the provided formula has been numerically verified. Finally, test calculations reveal that HGSA is favourable for exploiting the dynamics of REs in tokamak plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Diffusion–convection model of runaway electrons due to large magnetohydrodynamic perturbations in post-thermal quench plasmas

Systematic test particle tracing simulations for runaway electrons (REs) are performed for six post-thermal quench equilibria from DIII-D and ITER, where large scale, kink-like n = 1 (n is the toroidal mode number) magnetohydrodynamic (MHD) instabilities are found. The modeled particle guiding center orbits allow extraction of the effective diffusion–convection coefficients of REs in the presence of large three-dimensional (3D) perturbations up to 10% of the equilibrium toroidal field. With a fixed spatial distribution of the field perturbation, the RE transport coefficients along the plasma radial coordinate track reasonably well with the surface-averaged perturbation level. A substantial variation in the value of the transport coefficients—by three orders of magnitude in most cases, however, occurs with varying launching location of REs along the plasma radius. Large 3D perturbations almost always lead to comparable diffusion and convection processes, meaning that diffusion alone is insufficient to describe the particle motion. At lower (but still high) level of perturbation, the RE convection is found to be dominant over diffusion. A similar observation is made when the perturbation is too strong. In the presence of large perturbation, the dependence of the RE transport on the particle energy is sensitive to the spatial distribution of the perturbation. Based on numerically obtained RE transport coefficients, an analytic fitting model is proposed to quantify the particle diffusion and convection processes due to large MHD events in post-thermal quench plasmas. The model is shown to reasonably well reproduce the direct test particle tracing results for the RE loss fraction and can, thus, be useful for incorporating into other kinetic RE codes in order to simulate the RE beam evolution in the presence of large 3D perturbations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Observation of D 2 molecule line emission after massive D 2 injection into runaway electron plateaus in DIII-D

Molecular deuterium line emission is observed in both the visible and ultraviolet (UV) wavelength ranges after massive (> 100 Torr-L) injection of D 2 gas into post-disruption runaway electron (RE) dominated plasmas in the DIII-D tokamak. D 2 UV line emission is found to be the dominant source of radiated power, surpassing D Lyα. Interpretive modeling with a collisional-radiative model (CRM) indicates that D 2 radiation surpasses D radiation because Lyα is strongly trapped, while D 2 UV lines are mostly untrapped. The CRM also indicates that the D 2 line emission is completely dominated by RE impact (rather than thermal electron impact), so the D 2 line emission can serve as a good diagnostic for the spatial localization of REs. Analysis of D 2 visible lines indicates that the D 2 molecules in the plasma are thermally equilibrated with the background plasma, with vibrational, rotational, and kinetic temperatures all near 0.3 eV. D 2 spectroscopy therefore serves as a convenient diagnostic of background plasma temperature. As a result, measurement of D 2 radiated power also appears to serve as a useful diagnostic for constraining neutral transport modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A physics-informed deep learning model of the hot tail runaway electron seed

A challenging aspect of the description of a tokamak disruption is evaluating the hot tail runaway electron seed that emerges during the thermal quench. This problem is made challenging due to the requirement of describing a strongly non-thermal electron distribution, together with the need to incorporate a diverse range of multiphysics processes, including magnetohydrodynamic instabilities, impurity transport, and radiative losses. Here this work develops a physics-informed neural network (PINN) tailored to the solution of the hot tail seed during an axisymmetric thermal quench. Here, a PINN is developed to identify solutions to the adjoint relativistic Fokker–Planck equation in the presence of a rapid quench of the plasma's thermal energy. It is shown that the PINN is able to accurately predict the hot tail seed across a range of parameters, including the thermal quench timescale, initial plasma temperature, and local current density, in the absence of experimental or simulation data. The hot tail PINN is verified by comparison with direct Monte Carlo simulations, with excellent agreement found across a broad range of thermal quench conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The impact of collisionality on the runaway electron avalanche during a tokamak disruption

The exponential growth (avalanching) of runaway electrons (REs) during a tokamak disruption continues to be a large uncertainty in RE modeling. The present work investigates the impact of tokamak geometry on the efficiency of the avalanche mechanism across a broad range of disruption scenarios. It is found that the parameter ν *,crit ⁠, describing the collisionality at the critical energy to run away, delineates how toroidal geometry impacts RE formation. In particular, utilizing a reduced but self-consistent description of plasma power balance, it is shown that for a high-density deuterium-dominated plasma, ν *,crit is robustly less than one, resulting in a substantial decrease in the efficiency of the RE avalanche compared to predictions from slab geometry. In contrast, for plasmas containing a substantial quantity of neon or argon, ν *,crit ≳1, no reduction of the avalanche is observed due to toroidal geometry. This sharp contrast in the impact of low- vs high-Z material results primarily from the relatively strong radiative cooling from high-Z impurities, enabling the plasma to be radiatively pinned at low temperatures and thus large electric fields, even for modest quantities of high-Z material.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A physics-constrained deep learning treatment of runaway electron dynamics

An adjoint formulation leveraging a physics-informed neural network (PINN) is employed to advance the density moment of a runaway electron (RE) distribution forward in time. A distinguishing feature of this approach is that once the adjoint problem is solved, its solution can be used to project the RE density forward in time for an arbitrary initial momentum space distribution of REs. Furthermore, by employing a PINN, a parametric solution to the adjoint problem can be learned. Thus, once trained, this adjoint-deep learning framework is able to efficiently project the RE density forward in time across various plasma conditions while still including a fully kinetic description of RE dynamics. As an example application, the temporal evolution of the density of primary electrons is studied, with particular emphasis on evaluating the decay of a RE population when below threshold. Predictions from the adjoint-deep learning framework are found to be in good agreement with a traditional relativistic electron Fokker–Planck solver, for several distinct initial conditions, and across an array of physics parameters. Once trained, the PINN thus provides a means of generating RE density time histories with exceptionally low online execution time.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Coupled 2D MHD and runaway electron fluid simulations of SPARC disruptions

Runaway electrons (REs) generated during disruption events in tokamaks can carry mega-Ampère level currents, potentially causing damage to plasma-facing components. Understanding RE evolution during disruption events is important for evaluating strategies to mitigate RE damage. Using two-dimensional toroidally symmetric magnetohydrodynamic (MHD) simulations in M3D-C1, which incorporates a fluid RE model evolved self-consistently with the bulk MHD fluid, we examine the seeding and avalanching of REs during disruptions in the SPARC tokamak – a compact, high-field, high-current device designed to achieve a fusion gain Q > 2 in deuterium–tritium plasmas. The M3D-C1 simulations of unmitigated disruptions demonstrate RE plateau formation and peaking of the final current density, which agree well with the results of lower-fidelity reduced RE fluid models. This work provides the first systematic comparison and benchmarking of different primary sources, including activated tritium beta decay and Compton scattering, in SPARC disruption simulations with self-consistent MHD and RE coupling.

Compton scattering↗

Resistive hose modes in tokamak runaway electron beams II

Resistive hose instabilities of runaway electron (RE) beams immersed in resistive background plasmas are examined with analytic and numerical calculations. The RE beam-plasma equilibria considered are characteristic of the situation observed post-thermal quench in a tokamak disruption. An analytic linear dispersion relation is presented for the case of a uniform RE current density profile with a sharp boundary in cylindrical geometry. Initial value linear calculations for a more general profile in toroidal geometry find that reducing aspect ratio increases the resistive hose mode growth rates with fixed safety factor profile. Nonlinear calculations in cylindrical and toroidal geometry find that the resistive hose instability-driven fluctuations relax the gradient of the current density profile. In toroidal geometry, changes to the magnetic topology are observed as a result of the resistive hose activity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗