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For reaching high-performance of electrode materials, it is generally believed that understanding the structure evolution and heterogeneous alignment effect is the key. Presently, a very simple and universally applicable self-healing method is investigated to prepare defect-free Prussian blue analogs (PBAs) that reach their theoretical capacity as cathode materials for sodium-ion batteries (SIBs). For direct imaging of the local structure and the dynamic process at the atomic scale, we deliver a fast ion-conductive nickel-based PBA that enables rapid Na + extraction/insertion within 3 minutes and a capacity retention of nearly 100% over 4000 cycles. This guest-ion disordered and quasi-zero-strain nonequilibrium solid–solution reaction mechanism provides an effective guarantee for realizing long-cycle life and high-rate capability electrode materials that operate via reversible two-phase transition reaction. Unconventional materials and mechanisms that enable reversible insertion/extraction of ions in low-cost metal–organic frameworks (MOFs) within minutes have implications for fast-charging devices, grid-scale energy storage applications, material discovery, and tailored modification.
Graphite has been regarded as the most important anode material for currently used lithium-ion batteries due to its two-dimensional (2D) nature hosting ionic intercalations. However, the kinetic insertion of Li ions is still not well known microscopically. In this work, we investigate the real-time intercalation process of Li ions using in situ transmission electron microscopy. We observe the lithium insertion process at the atomic scale, in which the graphite layers undergo expansion, forming wrinkles and finally inhomogeneous cracks as the Li ions accumulate, different from the proposed models. Leveraging on theoretical simulations, Li-ion migration driven by an external electrical field is suggested to be induced into the irreversible wrinkled structures. This non-equilibrium behavior that occur in lithium-ion batteries can be more pronounced at a high charging rate, which will practically degrade the capacity of graphite. Furthermore, this work unveils the reaction scenario of the non-equilibrium Li-ion insertion, which benefits the understanding of the performance of graphite-based energy-storage devices.
Rechargeable batteries currently power much of our world, but with the increased demand for electric vehicles (EVs) capable of traveling hundreds of miles on a single charge, new paradigms are necessary for overcoming the limits of energy density, particularly in rechargeable batteries. The emergence of reversible anionic redox reactions presents a promising direction toward achieving this goal; however this process has both positive and negative effects on battery performance. While it often leads to higher capacity, anionic redox also causes several unfavorable effects such as voltage fade, voltage hysteresis, sluggish kinetics, and oxygen loss. However, the introduction of cations with topological chemistry tendencies has created an efficient pathway for achieving long-term oxygen redox with improved kinetics. The cations serve as pillars in the crystal structure and meanwhile can interact with oxygen in ways that affect the oxygen redox process through their impact on the electronic structure. This review delves into a detailed examination of the fundamental physical and chemical characteristics of oxygen redox and elucidates the crucial role that cations play in this process at the atomic and electronic scales. Furthermore, here we present a systematic summary of polycationic systems, with an emphasis on their electrochemical performance, in order to provide perspectives on the development of next-generation cathode materials.
A useful synthesis technique, shock synthesis of bulk nanomaterials from nanopowders, is explored here with molecular dynamics simulations. We choose nanoporous Cu ({approx}11 nm in grain size and 6% porosity) as a representative system, and perform consolidation and spallation simulations. The spallation simulations characterize the consolidated nanopowders in terms of spall strength and damage mechanisms. The impactor is full density Cu, and the impact velocity (u{sub i}) ranges from 0.2 to 2 km s{sup -1}. We present detailed analysis of consolidation and spallation processes, including atomic-level structure and wave propagation features. The critical values of u{sub i} are identified for the onset plasticity at the contact points (0.2 km s{sup -1}) and complete void collapse (0.5 km s{sup -1}). Void collapse involves dislocations, lattice rotation, shearing/friction, heating, and microkinetic energy. Plasticity initiated at the contact points and its propagation play a key role in void collapse at low u{sub i}, while the pronounced, grain-wise deformation may contribute as well at high u{sub i}. The grain structure gives rise to nonplanar shock response at nanometer scales. Bulk nanomaterials from ultrafine nanopowders ({approx}10 nm) can be synthesized with shock waves. For spallation, grain boundary (GB) or GB triple junction damage prevails, while we also observe intragranular voids as a result of GB plasticity.
Growth process and magnetic properties of PbO-type α-Fe{sub x}Se nanostructures with shape changing from nanocacti to nanopetals and then to nanosheets are investigated. With iron acetylacetonate [Fe(acac){sub 3}] and Se powder as raw materials, the diffusion process of Fe atoms dominates the synthesis of α-Fe{sub x}Se nanocacti following phase transitions from FeSe{sub 2} to Fe{sub 3}Se{sub 4} and finally to α-Fe{sub x}Se. When a mixed solution containing Se precursor and Fe(acac){sub 3} was used as the raw material, the formation of FeSe{sub 2} and Fe{sub 3}Se{sub 4} can be avoided and, bended α-Fe{sub x}Se nanopetals can be prepared at 345 °C, which became flat nanosheets with a [001] preferred orientation as extending the reaction time from 1 to 4 h. No superconducting transition occurs in the α-Fe{sub x}Se (0.84 ≤ x ≤ 1.05) nanostructures due to composition heterogeneity or size effect. Magnetic measurements indicate that an antiferromagnetic component with a Néel point at about 45 K dominates the magnetic properties of the α-Fe{sub 0.87}Se nanosheets.
Knowing the frequency-dependent photo-induced complex conductivity of thin films is useful in the design of photovoltaics and other semi-conductor devices. For example, annealing in the far-infrared could in principle be tailored to the specific dielectric properties of a particular sample. The frequency dependence of the conductivity (whether dark or photo-induced) also gives insight into the effective dimensionality of thin films (via the phonon density of states) as well as the presence (or absence) of free carriers, dopants, defects, etc. Ultimately, our goal is to make low-noise, phase-sensitive room temperature measurements of the frequency-dependent conductivity of thin films from microwave frequencies into the far-infrared; covering, the frequency range from ionic and dipole relaxation to atomic and electronic processes. To this end, we have developed a high-Q (quality factor) open cavity resonator capable of resolving the complex conductivity of sub-micron films in the range of 100–350 GHz (0.1–0.35 THz, or 0.4–1 meV). In this paper, we use a low-power green laser to excite bound charges in high-resistivity amorphous silicon thin film. Even at room temperature, we can resolve both the dark conductivity and photo-induced changes associated with dielectric relaxation and possibly some small portion of free carriers.
A fast model for calculation of non-stationary 3-D profiles of the density for neutral particles locally released into a hot plasma is elaborated. The approach reduces non-stationary three-dimensional transport equations to a set of one-dimensional ones describing the time evolution of the radial profiles for several parameters characterizing adequately the three-dimensional structure. The method is applied to model the spreading process of carbon atoms released by laser desorption in an experimental device and the local injection of working gas into a fusion reactor. The associated heat loads onto the first wall are assessed.
To demonstrate controlling the electron temperature in nonlocal plasma, experiments have been performed on a short (without positive column) dc glow discharge with a cold cathode by applying different voltages to the conducting discharge wall. The experiments have been performed for low-pressure noble gas discharges. The applied voltage can modify trapping the energetic electrons emitted from the cathode sheath and arising from the atomic and molecular processes in the plasma within the device volume. This phenomenon results in the energetic electrons heating the slow plasma electrons, which consequently modifies the electron temperature. Furthermore, a numerical model of the discharge has demonstrated the electron temperature modification for the above case.
In this work we propose a general strategy to calculate accurate He–surface interaction potentials. It extends the dispersionless density functional approach recently developed by Pernal et al. [Phys. Rev. Lett. 103, 263201 (2009)] to adsorbate-surface interactions by including periodic boundary conditions. We also introduce a scheme to parametrize the dispersion interaction by calculating two- and three-body dispersion terms at coupled cluster singles and doubles and perturbative triples (CCSD(T)) level via the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)]. The performance of the composite approach is tested on {sup 4}He/graphene by determining the energies of the low-lying selective adsorption states, finding an excellent agreement with the best available theoretical data. Second, the capability of the approach to describe dispersionless correlation effects realistically is used to extract dispersion effects in time-dependent density functional simulations on the collision of {sup 4}He droplets with a single graphene sheet. It is found that dispersion effects play a key role in the fast spreading of the {sup 4}He nanodroplet, the evaporation-like process of helium atoms, and the formation of solid-like helium structures. These characteristics are expected to be quite general and highly relevant to explain experimental measurements with the newly developed helium droplet mediated deposition technique.
We report a series of metal insulator semiconductor devices with embedded Pt nano particles (NPs) fabricated using a low temperature atomic layer deposition process. Optically sensitive nonvolatile memory cells as well as optical sensors: (i) varactors, whose capacitance-voltage characteristics, nonlinearity, and peak capacitance are strongly dependent on illumination intensity; (ii) highly linear photo detectors whose responsivity is enhanced due to the Pt NPs. Both single devices and back to back pairs of diodes were used. The different configurations enable a variety of functionalities with many potential applications in biomedical sensing, environmental surveying, simple imagers for consumer electronics and military uses. The simplicity and planar configuration of the proposed devices makes them suitable for standard CMOS fabrication technology.
We investigate the electrical properties in back-gated graphene field effect transistors (GFETs) with SiO{sub 2} dielectric and different thickness of high-k HfO{sub 2} dielectric. The results show that transform characteristic (I{sub ds}–V{sub gs}) curves of GFETs are uniquely W-shaped with two charge neutrality point (left and right) in both SiO{sub 2} and HfO{sub 2} dielectric (SiO{sub 2}-GFETs and HfO{sub 2}-GFETs). The gate voltage reduces drastically in HfO{sub 2}-GFETs compared with that in SiO{sub 2}-GFETs, and it becomes much smaller with the decline of HfO{sub 2} thickness. The left charge neutrality point in I{sub d}–V{sub g} curves of all HfO{sub 2}-GFETs is negative, compared to the positive ones in SiO{sub 2}-GFETs, which means that there exists n-doping in graphene with HfO{sub 2} as bottom dielectric. We speculate that this n-doping comes from the HfO{sub 2} layer, which brings fixed charged impurities in close proximity to graphene. The carrier mobility is also researched, demonstrating a decreasing trend of hole mobility in HfO{sub 2}-GFETs contrast to that in SiO{sub 2}-GFETs. In a series of HfO{sub 2}-GFETs with different HfO{sub 2} dielectric thickness, the hole mobility shows a tendency of rise when the thickness decreases to 7 nm. The possible reason might be due to the introduced impurities into HfO{sub 2} film from atomic layer deposition process, the concentration of which varies from the thickness of HfO{sub 2} layer.
High resolution microscopies were used to study the interactions of Te atoms with Ge dislocation loops, after a standard n-type doping process in Ge. Te atoms neither segregate nor precipitate on dislocation loops, but form Te-Ge clusters at the same depth as dislocation loops, in contradiction with usual dopant behavior and thermodynamic expectations. Atomistic kinetic Monte Carlo simulations show that Te atoms are repulsed from dislocation loops due to elastic interactions, promoting homogeneous Te-Ge nucleation between dislocation loops. This phenomenon is enhanced by coulombic interactions between activated Te{sup 2+} or Te{sup 1+} ions.
Here, in this Letter, the robust ferroelectric properties of low-temperature (350 °C) Hf 0.5 Zr 0.5 O 2 (HZO) films are investigated. We demonstrate that the lower crystallization temperature of HZO films originates from a densified film deposition with an anhydrous H 2 O 2 oxidant in the atomic layer deposition process. As a consequence of this densification, H 2 O 2 -based HZO films showed completely crystallinity with fewer defects at a lower annealing temperature of 350 °C. This reduction in the crystallization temperature additionally suppresses the oxidation of TiN electrodes, thereby improving device reliability. The low-temperature crystallization process produces an H 2 O 2 -based HZO capacitor with a high remanent polarization ( P r ), reduced leakage current, high breakdown voltage, and better endurance. Furthermore, while an O 3 -based HZO capacitor requires wake-up cycling to achieve stable P r , the H 2 O 2 -based HZO capacitor demonstrates a significantly reduced wake-up nature. Anhydrous H 2 O 2 oxidant enables the fabrication of a more reliable ferroelectric HZO device using a low process thermal budget (350 °C).
A new self-consistent 1D scrape-off layer model has been recently developed in BOUT++ framework, named SD1D, which includes equations for various particle species (e.g. main plasma, neutrals and impurities) and couples open databases like ADAS and AMJUEL. It is able to quickly and effectively simulate divertor detachment experiments. In this work, a typical detachment experiment (shot #6270) on HL-3 with neon seeding is simulated using the SD1D code. It is found that the target electron temperature and the target ion saturation current in the simulations are consistent with experimental results measured by Langmuir probes on the target plate. The variation of D α radiation intensity in the divertor is qualitatively similar to the measured D α signal. Following the experimental validations, different upstream densities are set in the simulations to study the impurity distribution under different plasma density conditions. It is found that increasing upstream density can be helpful for the control of the neon radiation front (closer to the target). In this work we also compare two detachment regimes in simulations. Based on the same initial experimental parameters (shot #6270) on HL-3, a scan of upstream density and a scan of neon seeding rate are carried out respectively. It is found that the role of atomic and molecular processes is different in the two detachment regimes. The current density roll-over is ascribed to a drop in the divertor ion source, and the variation of D α radiation intensity via different excitation channels is associated with the relevant collisional reaction sources.
This chapter presents the activity conducted by the ITPA topical group (TG) on Diagnostics over about the last 15 years. Following a general introduction of the ITER Diagnostics led by their measurement roles, the document is organized in several subchapters detailing the design support, research and development activity conducted by each of the specialist working groups (WGs) of the TG. Please note that the magnetic diagnostics were supported at the TG without a specific WG. Their status is included in the general introduction. In the following some highlights of the subchapter’s contents are provided. Recent advances in ITER first wall (FW) diagnostics for the measurements of plasma-metallic wall interaction in support of the ITER research plan are reported. An InfraRed imaging Video Bolometer for ITER has been developed and tested on several tokamaks to measure the radiated power loss. A laser-induced breakdown spectroscopy (LIBS) technique which utilizes a pulsed laser beam to ablate locally by forming a crater, will measure local tritium inventory in the FW material. Real-time Residual Gas Analyzers will measure the neutral gas composition in a divertor port and an equatorial port during plasma operation. Due to the full metallic FW environment, the plasma-wall interaction in ITER will face several challenges such as the compromised radiated power and divertor heat flux measurements by reflection. Ray tracing and analysis codes have been developed to eliminate and correct the effects of reflection in the measurements. The characteristics of the reflecting surfaces depending on the roughness and angle of the incidence have been measured by dedicated experiments, and the results were applied to the reflection elimination. For the measurement of the metallic impurity radiation induced by eroded metallic atoms, a vacuum ultraviolet spectrometer has been developed and tested. An extensive thermonuclear diagnostic suite will be required to support the operation of ITER and the planned experimental program for future burning plasma experiments. Due to the harsh environmental conditions, the implementation of diagnostic systems in ITER is a major challenge. These conditions include high levels of neutron and gamma fluxes, neutron heating, particle bombardment. Therefore, the selection and design of diagnostic systems must take into account a number of phenomena previously unseen in diagnostic design. For this reason, the measurement of neutrons and confined or lost fast ions, with particular emphasis on alpha particles, is critical to ITER. The diagnostics associated with these measurements will be important for future plasma-burning experiments at ITER. The high neutron emission and very large plasma size in ITER make neutron diagnostics the main diagnostic method used to measure plasma parameters such as fusion power, fusion power density, ion temperature, energy of fast ions and their spatial distributions in the plasma core. Active spectroscopy techniques are methods where a neutral particle beam is injected into the plasma and information on plasma parameters is extracted from the measurement of line emission resulting from the beam-plasma interaction, either by plasma ions or by beam atoms. Spatial localization is achieved by crossing the beamline and multiple observation lines. The ITER plasma will be a high temperature, moderately dense, fully ionized collisional plasma. The plasma facing surfaces are principally metallic being fashioned from beryllium or tungsten but many other elements, arising from either structural or from operational needs, may enter this plasma. The energy range of the emitted photons range from meV (infra-red) to multi keV (x-rays) and originate from all areas of the plasma volume. The primary role of passive emission diagnostics is to identify what is in the plasma from spectral signatures. Extracting quantitative information from these measurements such as impurity content, ion temperature, rotation, degree of detachment and radiated power depends on calibrated instruments, a physics model of the atomic and molecular processes and plasma transport and an analysis workflow that takes into account environmental effects such as reflections. The particular needs for ITER have prompted a multi-machine, many-year effort to address all these aspects and this chapter reviews the work on diagnostic design, experiments and new analysis techniques. An overview of the laser diagnostics to be implemented on ITER is also provided in this paper. This includes descriptions of the Thomson scattering in the core, edge and divertor regions, polarimetry and interferometry diagnostics used for measuring plasma density and also measurements of helium density in the divertor using Laser Induced Flourescence. Techniques which can allow improvements on current measurements are also addressed in particular expanding poloidal polarimetry measurements to measure field fluctuations and proposed use of dispersion interferometery which has a number of advantages over existing methods. This paper identifies particular areas where further research and testing on existing tokamaks is useful even at this advanced stage to inform the design of diagnostics for ITER. Outstanding areas of concern for the implementation of laser diagnostics, in particular with a view to reliable operation are identified. An overview of the latest developments of microwave diagnostic systems and techniques is given. The primary focus is the contributions for ITER—the next step burning plasma experiment—which is supplemented by describing recent progress of techniques applicable for fusion experiments beyond ITER. The contributions are intentionally kept concise, and are being supplemented by a rich list of references for further studies. Radiation induced effects are receiving continuous and well-deserved attention of the ITER diagnostic community and they are in many cases one of the primary design drivers of the ITER diagnostic systems. The paper summarizes recent progress in this area focusing primarily on the ITER diagnostics but in some cases provides also outlook for the possible solutions for even more demanding radiation environment of fusion reactors beyond ITER. Despite advancements in the area of modeling and simulation of various radiation induced effects, experimental testing in a nuclear environment as close as possible to the target one is still seen as unavoidable for proper qualification of particular diagnostic functional elements. Recent advancement within three diagnostic areas: optical diagnostics, magnetics and bolometers is covered. Encouraging results on qualification of silica glass vacuum window assemblies are presented. In the area of magnetic sensors, progress of irradiation tests performed on ITER in-vessel LTCC inductive sensors is presented with outlook for novel technological approaches to inductive sensors utilizing thick printing and photolithography technologies being highlighted. Summary of advancements in the area of steady state magnetic field sensors based on Hall effect is given. New results of neutron irradiation test of the ITER borosilicate glass inserts for vacuum electrical feedthroughs are summarized finding negligible swelling at target level of neutron fluence. Off-line irradiation tests of fiber optic current sensors for plasma current measurement demonstrated that both for gamma doses up to 5 MGy and a total neutron fluence up to 10 15 cm −2 , radiation induced changes are still compatible with required measurement accuracy on ITER. The ITER bolometers are given as an example how considering radiation effects may influence the diagnostic design. Finally, outlook for future main R&D directions is outlined. All optical and laser-based diagnostics in ITER will be using mirrors to guide plasma radiation toward detectors, cameras and sensors. In the hostile plasma, radiation and particle environment the optical characteristics of diagnostic mirrors will degrade directly affecting the entire performance of involved diagnostic systems. An assessment of factors affecting mirror performance is provided. Among the prime adverse factors are deposition of plasma impurities, sputtering of mirror surface and steam ingress in the vicinity of mirrors. Within the International Tokamak Physics Activity with active support by ITER central team and domestic agencies, the structured research and development (R&D) program on mitigation of risks for diagnostic mirrors is underway. Within this program the mirror material development, the passive mitigation of mirror degradation by using diagnostic ducts and shutters along with an active mirror recovery program comprising the in-situ mirror cleaning and calibration is underway. Recent developments in diagnostic mirror R&D are described in this Chapter along with an example of their implementation of R&D solutions in ITER Infrared Thermography diagnostic. An assessment of still open engineering and physics questions, considerations on mirror risks during an early phase of ITER operation are given along with an overview of diagnostic mirror evolution in the late ITER operation stage toward the demonstration fusion power plant. Several crucial areas of diagnostic R&D outlined in ITER Research Plan are addressed. The basic control groups in a fusion reactor can be broken-down in five categories: (1) plasma position, magnetic configuration, and plasma current control, (2) profile control and confinement optimization, (3) MHD control and suppression, (4) edge dissipation control, radiation and plasma exhaust control and (5) break-down optimization. These categories are coupled via the physics (a control action in one domain will affect the other domains) and via shared actuators (e.g. ECRH for impurity accumulation avoidance, current density distribution control and MHD suppression). Consequently, a supervisory control system should determine the priority of the various control tasks, their couplings, and the interfaces with the safety and interlock system. For the systematic development of the various controllers taking the complexity of the plasma and the control system into account, a model-based approach is required. A short historical overview is given of the developments in systems and control theory and control engineering with special emphasis on those developments that are most relevant for Nuclear Fusion research and operation. An overview is given of the state of the field of fusion plasma control for the control categories. It will be shown how synthetic diagnostics are being developed in ITER and how they are used in diagnostic design and design validation and how they can be in model-based controller synthesis using relatively simple models. In modern control methods, multiple diagnostics are used to constrain relatively simple models. The constrained models provide an estimate for the state. This opens the route to state controllers, such as model predictive control. A major challenge in nuclear fusion research is the coherent combination of data from heterogeneous diagnostics and modeling codes for machine control and safety as well as physics studies. Measured data from different diagnostics often provide information about the same subset of physical parameters. Additionally, information provided by some diagnostics might be needed for the analysis of other diagnostics. A joint analysis of complementary and redundant data allows, e.g. to improve the reliability of parameter estimation, to increase the spatial and temporal resolution of profiles, to obtain synergistic effects, to consider diagnostics interdependencies and to find and resolve data inconsistencies. Physics-based modeling and parameter relationships provide additional information improving the treatment of ill-posed inversion problems. A coherent combination of all kind of available information within a probabilistic framework allows for improved data analysis results. The concept of integrated data analysis (IDA) in the framework of Bayesian probability theory is outlined and contrasted with conventional data analysis. Components of the probabilistic approach are summarized and specific ingredients beneficial for data analysis at fusion devices are discussed.
This paper investigates the Fano-Feshbach resonance with a two-channel coupled-square-well model in both the frequency and time domains. This system is shown to exhibit Fano line-shape profiles in the energy absorption spectrum. The associated time-dependent transition moment response has a phase shift that has recently been understood to be related to the Fano line-shape asymmetric q parameter by φ = 2arg(q-i). The present study demonstrates that the phase-q correspondence is general for any Fano resonance in the weak-coupling regime, independent of the transition mechanism.
Here, we study the recombination process of three atoms scattering into an atom and diatomic molecule in heteronuclear mixtures of ultracold atomic gases with large and positive interspecies scattering length at finite temperature. We calculate the temperature dependence of the three-body recombination rates by extracting universal scaling functions that parametrize the energy dependence of the scattering matrix. We compare our results to experimental data for the 40 K– 87 Rb mixture and make a prediction for 6 Li– 87 Rb. We find that contributions from higher partial wave channels significantly impact the total rate and, in systems with particularly large mass imbalance, can even obliterate the recombination minima associated with the Efimov effect.