batterydata/paper-abstracts huggingface dataset:
Designing materials for targeted performance requirements as required in Integrated Computational Materials Engineering (ICME) demands a combined strategy of bottom–up and top–down modeling and simulation which treats various levels of hierarchical material structure as a mathematical representation, with infusion of systems engineering and informatics to deal with differing model degrees of freedom and uncertainty. Moreover, with time, the classical materials selection approach is becoming generalized to address concurrent design of microstructure or mesostructure to satisfy product-level performance requirements. Computational materials science and multiscale mechanics models play key roles in evaluating performance metrics necessary to support materials design. The interplay of systems-based design of materials with multiscale modeling methodologies is at the core of materials design. In high performance alloys and composite materials, maximum performance is often achieved within a relatively narrow window of process path and resulting microstructures. Much of the attention to ICME in the materials community has focused on the role of generating and representing data, including methods for characterization and digital representation of microstructure, as well as databases and model integration. On the other hand, the computational mechanics of materials and multidisciplinary design optimization communities are grappling with many fundamental issues related to stochasticity of processes and uncertainty of data, models, and multiscale modeling chains in decision-based design. This paper explores computational and information aspects of design of materials with hierarchical microstructures and identifies key underdeveloped elements essential to supporting ICME. One of the messages of this overview paper is that ICME is not simply an assemblage of existing tools, for such tools do not have natural interfaces to material structure nor are they framed in a way that quantifies sources of uncertainty and manages uncertainty in representing physical phenomena to support decision-based design.
In this work we report the synthesis and the characterization of black anatase TiO2. We show that this material displays a nanostructured architecture, with an electro-conducting trivalent Ti. The presence of trivalent Ti in this structure narrows the inherent high band gap energy to a semiconductor level, reaching a value as low as 1.8 eV, resulting in the very high electrical conductivity of 8 × 10−2 S cm−1. These extraordinary electro-conducting physical properties ensure an ultra fast Li+ insertion into and extraction from the host structure of anatase TiO2 making it a unique, high rate electrode, delivering at a 100 C-rate (20 A g−1) a discharge capacity of 127 mA h (g-TiO2)−1 with approximately 86% retention during 100 charge–discharge cycles at 25 °C and approximately 84% retention at −20 °C.
In this paper, the electrochemical behavior of the reduction products in solution for Li/S cell is studied by UV–visual spectroscopy and electrochemical impedance spectroscopy (EIS). The results tell that the redox process of the polysulfide intermediate contains five charge-transfer steps in the practical Li/S cell. The formation of final reduction product of Li2S and the final re-oxidation product of S8 is completely irreversible. The transform between polysulfide and Li2S2 is electrochemical sluggish. The peaks corresponding to transformation Li2S x ↔Li2S y (2< x < y ≤6) are still symmetrical in spite of an increasing polarization with the proceeding of CV scan. While the redox process corresponding to Li2S m ↔Li2S n (4< m < n ≤8) is reversible. The dissolution long-chain polysulfide and deposition of short-chain polysulfide contribute mostly to the electrode deterioration even electrode blockage. Therefore, homogeneous mixing element sulfur with conductive components and alleviating the polysulfide dissolution are equally important to improving the active material utilization and rechargeability for rechargeable Li/S battery.
Understanding the range of habitats needed to complete life-cycles is essential for the effective conservation and management of species. We combined otolith microchemistry, acoustic tracking, and underwater video to determine patterns of seascape use by an assemblage of tropical snappers, including two little-known species of high economic importance, the Papuan black bass (Lutjanus goldiei) and spot-tail snapper (Lutjanus fuscescens). All species appeared to have marine larval phases, and post-settlement distributions broadly overlapped across the coastal seascape. However, species and life stages were distributed along a gradient from freshwater to coastal waters. Lutjanus fuscescens is primarily a freshwater species post-settlement, but larger individuals move into brackish estuaries and even coastal waters at times. Lutjanus goldiei appear to recruit to low salinity or freshwater areas. Larger individuals tend to have home-ranges centred on brackish estuaries, while making regular movements into both coastal waters and freshwater. Lutjanus argentimaculatus also ranged widely from fresh to coastal waters, but juveniles were most common in the saline parts of estuaries. Ontogenetic shifts by L. argentimaculatus were similar to those reported from other regions, despite vast differences in the spatial proximity of seascape components. The wide-ranging seascape movements of our target species highlight the importance of maintaining effective connectivity between marine, estuarine, and freshwaters in the region to maintain ecosystem function and support sustainable sport fisheries. The combined approaches resolved some of the ambiguities of individual methods and provide a powerful approach to understanding seascape use by coastal fishes.
Improved models are needed to predict the fate of carbon in forest soils under changing environmental conditions. Within a temperate sugar maple forest, soil CO2 efflux averaged 3.58 µmol m−2 s−1 but ranged from 0.02 to 25.35 µmol m−2 s−1. Soil CO2 efflux models based on temperature and moisture explained approximately the same amount of variance on gentle and steep hillslopes (r2 = 0.506, p < 0.05 and r2 = 0.470, p < 0.05 respectively). When soil carbon content and sorption capacity were added to the models, the amount of explanation increased slightly on a gentle hillslope (r2 = 0.567, p < 0.05) and substantially on a steep hillslope (r2 = 0.803, p < 0.05). Within the organic-rich surface of the mineral soil, carbon content was positively related and sorption capacity was negatively related to soil CO2 efflux rates. There were general patterns of smaller carbon pools and lower sorption capacity in the upland positions than in the lowland and wetland positions, likely a result of hydrological transport of particulate and dissolved substances downslope, leading to higher soil CO2 efflux in the upland positions. However, the magnitude of the soil CO2 efflux was mitigated by the higher sorption capacity of the organic-rich surface layer of the mineral soils, which was negatively correlated to soil CO2 efflux. More accurate estimates of forest soil CO2 efflux must take into account topographic influences on the carbon pool, the environmental factors that affect rates of carbon transformation, as well as the physicochemical factors that determine the fraction of the carbon pool that can be transformed.
Commercially available lithium–nickel–cobalt oxide (LiNi0.82Co0.18O2) issued a high-capacity cathode material in the fabrication of a bi-cell type of lithium-ion polymer battery (LIPB) following the Bellcore scheme. The capacity and cycle performance of the battery is evaluated. An ethylene carbonate (EC)-based electrolyte mixed with dimethyl carbonate (DMC) or ethyl methyl carbonate (EMC) is employed as a means to increase the utilization of cathode active material. LiNi0.82Co0.18O2 displays a higher initial discharge capacity (∼180mAhg−1) than conventional LiCoO2. As a result, both capacity and cycle performance are improved when using an EMC-containing electrolyte solution. In particular, the high-rate capability is enhanced, e.g. the discharge capacity at the 2C rate reaches about 70% of that at the 0.2C rate. All the improved performance characteristics are probably due to the EMC-containing electrolyte solution causing a trans-esterification reaction associated with an equilibrium mixture of EMC, DMC and diethyl carbonate (DEC).
Tetracycline antibiotics, including doxycycli\e (DOX), have been used to treat bone resorptive diseases, partially because of their activity to suppress osteoclastogenesis induced by receptor activator of nuclear factor kappa B ligand (RANKL). However, their precise inhibitory mechanism remains unclear. Therefore, the present study examined the effect of Dox on osteoclastogenesis signaling induced by RANKL, both in vitro and in vivo. Although Dox inhibited RANKL-induced osteoclastogenesis and down-modulated the mRNA expression of functional osteoclast markers, including tartrate-resistant acid phosphatase (TRAP) and cathepsin K, Dox neither affected RANKL-induced MAPKs phosphorylation nor NFATc1 gene expression in RAW264.7 murine monocytic cells. Gelatin zymography and Western blot analyses showed that Dox down-regulated the enzyme activity of RANKL-induced MMP-9, but without affecting its protein expression. Furthermore, MMP-9 enzyme inhibitor also attenuated both RANKL-induced osteoclastogenesis and up-regulation of TRAP and cathepsin K mRNA expression, indicating that MMP-9 enzyme action is engaged in the promotion of RANKL-induced osteoclastogenesis. Finally, Dox treatment abrogated RANKL-induced osteoclastogenesis and TRAP activity in mouse calvaria along with the suppression of MMP9 enzyme activity, again without affecting the expression of MMP9 protein. These findings suggested that Dox inhibits RANKL-induced osteoclastogenesis by its inhibitory effect on MMP-9 enzyme activity independent of the MAPK-NFATc1 signaling cascade.
A novel air-stable titanium hexacyanoferrate (Ti0.75Fe0.25[Fe(CN)6]0.96·1.9H2O) with a cubic structure is synthesized simply by a solution precipitation method, which is first demonstrated to be a scalable, low-cost anode material for lithium-ion batteries exhibiting high capacity, long cycle life and good rate capability. Nevertheless, it has a low capacity of about 100 mAh g−1 as an anode material for sodium-ion batteries.
This study aimed to investigate how children with dyslexia weight amplitude rise time (ART) and formant rise time (FRT) cues in phonetic discrimination. Passive mismatch responses (MMR) were recorded for a/ba/-/wa/contrast in a multiple deviant odd-ball paradigm to identify the neural response to cue weighting in 17 children with dyslexia and 17 age-matched control children. The deviant stimuli had either partial or full ART or FRT cues. The results showed that ART did not generate an MMR in either group, whereas both partial and full FRT cues generated MMR in control children while only full FRT cues generated MMR in children with dyslexia. These findings suggest that children, both controls and those with dyslexia, discriminate speech based on FRT cues and not ART cues. However, control children have greater sensitivity to FRT cues in speech compared to children with dyslexia.
During LIB electrode manufacturing, it is difficult to avoid the certain defects that diminish LIB performance and shorten the life span of the batteries. This study provides a systematic investigation correlating the different plausible defects (agglomeration/blisters, pinholes/divots, metal particle contamination, and non-uniform coating) in a LiNi0.5Mn0.3Co0.2O2 positive electrode with its electrochemical performance. In addition, an infrared thermography technique was demonstrated as a nondestructive tool to detect these defects. The findings show that cathode agglomerates aggravated cycle efficiency, and resulted in faster capacity fading at high current density. Electrode pinholes showed substantially lower discharge capacities at higher current densities than baseline NMC 532electrodes. Metal particle contaminants have an extremely negative effect on performance, at higher C-rates. The electrodes with more coated and uncoated interfaces (non-uniform coatings) showed poor cycle life compared with electrodes with fewer coated and uncoated interfaces. Further, microstructural investigation provided evidence of presence of carbon-rich region in the agglomerated region and uneven electrode coating thickness in the coated and uncoated interfacial regions that may lead to the inferior electrochemical performance. This study provides the importance of monitoring and early detection of the electrode defects during LIB manufacturing processes to minimize the cell rejection rate after fabrication and testing.
This paper presents a forecasting model to estimate electric vehicle charging demand based on big data technologies. Most previous studies have not considered real-world traffic distribution data and weather conditions in predicting the electric vehicle charging demand. In this paper, the historical traffic data and weather data of South Korea were used to formulate the forecasting model. The forecasting processes include a cluster analysis to classify traffic patterns, a relational analysis to identify influential factors, and a decision tree to establish classification criteria. The considered variables in this study were the charging starting time determined by the real-world traffic patterns and the initial state-of-charge of a battery. Example case studies for electric vehicle charging demand during weekdays and weekends in summer and winter were presented to show the different charging load profiles of electric vehicles in the residential and commercial sites. The presented forecasting model may allow power system engineers to anticipate electric vehicle charging demand based on historical traffic data and weather data. Therefore, the proposed electric vehicle charging demand model can be the foundation for the research on the impact of charging electric vehicles on the power system.
Flexible thin film all-solid-state Li-ion batteries are considered as promising candidates to power a multitude of flexible and miniaturized electronic devices. The production of crystalline battery active materials generally involves high process temperatures above 500 °C. One current challenge in mechanically flexible thin film electrode fabrication is the direct deposition of such crystalline active materials onto temperature sensitive substrates. In the current work we have made a paradigm shift depositing highly pure crystalline Li4Ti5O12 nanoparticles onto a flexible polyimide foil in a single step using flame spray pyrolysis technique. The Li4Ti5O12 films were mechanically compressed at room temperature to 0.55 µm thin layers, to enhance their adhesion to the substrates, i.e. to increase mechanical stability. The smooth Li4Ti5O12 electrodes were covered with a solid electrolyte and tested against lithium metal electrodes. Stable electrochemical cycling behavior of the battery cells demonstrated the feasibility of the proposed technique for LTO thin film electrode fabrication on temperature sensitive and mechanically flexible polyimide substrates. Fundamental data on possible electrode cyclability upon electrode bending was obtained by successful cycling of LTO flex-TFBs in statically bent condition. This study could initialize a new branch for facile manufacturing of flexible thin film battery cells.
CNT/Ni hybrid nanostructured arrays (NSAs) are synthesized on a stainless steel substrate through a one-step chemical-vapor-deposition (CVD) method using nullaginite NSAs as starting materials. During the CVD process, the nullaginite NSAs are transformed into Ni NSAs, which can further act as the catalysts to initiate the simultaneous in situ growth of CNTs on their surface, leading to an intriguing three-dimensional (3D) hybrid nanostructure. The resulting ordered CNT/Ni NSAs are highly porous and conductive, which are believed to be quite favorable for electrochemical applications. As a proof-of-concept demonstration of the functions of such a well-designed architecture in energy storage, the CNT/Ni NSAs are tested as the working electrodes of electrochemical capacitors (ECs). After being activated, the composite electrode exhibits both well-defined pseudo-capacitive and electrical double-layer behavior with high areal capacitance (up to ∼0.901 F cm−2), excellent cyclability (nearly 100% capacitance retention after 5000 cycles), and outstanding rate capability. The unique interconnected hybrid structure and virtues inherited from the conductive CNT network and porous NSAs are believed to be responsible for the excellent performance.
Résumé Introduction Une dégradation des fonctions exécutives est régulièrement rapportée dans la maladie d’Alzheimer, mais les capacités de planification de l’action paraissent assez peu étudiées dans le cadre de cette pathologie neurodégénérative. Objectif L’objectif de cette étude était donc d’examiner les deux principales composantes de la planification (la formulation et l’exécution d’un plan) dans la maladie d’Alzheimer à partir d’une épreuve simulant l’exécution d’une activité réaliste empruntée à la batterie d’évaluation comportementale du syndrome dysexécutif. Cette épreuve présente le plan d’un zoo dont le sujet doit effectuer la visite dans deux conditions : une condition formulation où il doit organiser lui-même ses déplacements en respectant la liste des endroits à visiter et des règles précises, et une condition exécution où il doit suivre l’itinéraire de visite indiqué. L’épreuve a été proposée à 18 patients Alzheimer et 15 contrôles âgés sains appariés. Résultats Les analyses de variance ont principalement montré que les patients avec maladie d’Alzheimer étaient significativement moins performants que les contrôles pour l’ensemble des paramètres d’appréciation de la performance (temps, score de séquence, erreurs), ce dans les deux conditions de réalisation. L’écart entre les deux conditions de réalisation était plus important pour les patients Alzheimer. Les difficultés de planification corrélaient principalement avec les modifications comportementales (en particulier motivationnelles) constatées par les proches des patients au quotidien. Conclusion Ce travail confirme que la maladie d’Alzheimer s’accompagne d’une diminution des capacités de planification de l’action qui paraît liée à la fois à une difficulté à formuler des plans et à les exécuter et dont l’origine semble en partie liée à des modifications du comportement.
Objective To report on a 26-year-old female patient presenting with uncomplicated chronic low back pain who received chiropractic maintenance care using 2 quality of life outcome assessment instruments. Outcome measures Short-form (SF-36) subscales, Quality of Well-Being Scale, Visual Analog Scale, and number of tender vetebral spinous processes. Results After 9 months of care the SF-36 subscale scores showed improvement. The SF-36, although low before care, approached normal on 3 subscales and exceeded normal population values on 5 subscales after 9 months. The SF-36 physical and mental composite scores improved from mean baseline scores of 23.4 and 25.3 to 43.7 and 62.8, respectively, after 9 months of care. The Quality of Well-Being Scale scores improved from a mean pre-intervention score of 1.1 to a post-intervention score of 8.2. The Visual Analog Scale scores improved from a mean pre-intervention score of 8 to a post-intervention score of 1.5. The mean number of chiropractic vertebral subluxations, detected via palpation of spinous process tenderness, went from a pre-care mean of 6.5 to a post-care mean of 4. Conclusion The patient appeared to experience improvement in quality of life while showing signs suggestive of improved spinal function. The relationship between indicators of vertebral subluxation and quality of life deserves further investigation using a research design that allows for exploration of possible causal relationships.
Construction of high-capacity anode is highly important for the development of next-generation high-performance lithium ion batteries (LIBs). Herein we fabricate Si/Ag nanowires/reduced graphene oxide (Si/Ag NWs/rGO) integrated composite film by introducing binary conductive networks (Ag NWs and rGO) into Si active materials with the help of a facile vacuum-filtration method. Active Si nanoparticles are homogeneously encapsulated by binary Ag NWs-rGO conductive network, in which Ag NWs are interwoven among the rGO sheets. The electrochemical properties of the integrated Si/Ag NWs/rGO composite film are thoroughly characterized as anode of LIBs. Compared to the Si/rGO composite film, the integrated Si/Ag NWs/rGO composite film exhibits enhanced electrochemical performances with higher capacity, better high-rate capability and cycling stability (1269mAhg−1 at 50mAg−1 up to 50 cycles). The binary conductive network plays a positive role in the enhancement of performance due to its faster ion/electron transfer, and better anti-structure degradation caused by volume expansion during the cycling process.
Tris(trimethylsilyl) phosphite, tris(trimethylsilyl) borate, and tris(trimethylsilyl) phosphate are well known as effective electrolyte additives that noticeably improve the electrochemical performance of the cathode material in high-voltage lithium-ion batteries. It is essential to understand the reaction characteristics of such additives for developing novel electrolyte additives for high-voltage batteries. This work reports the distinct reaction characteristics of the three popular additives via first-principles calculations of self-decomposition reactions and reactivity with HF and LiF that significantly degrade the cell performance. Spontaneous decomposition reactions of their neutral and cation species are all thermodynamically unfavorable, which indicates that the additives themselves have difficulty decomposing even in the cation state. The HF- and LiF-scavenging reactions of their neutral and cation species are all very favorable. Our results indicate that the strong reactivity of additives can efficiently remove the undesired molecules HF and LiF in the electrolyte and on the cathode surface, respectively. In particular, LiF-scavenging ability on the cathode surface is excellent.
Impulse control disorders (ICDs) in Parkinson’s disease (PD) are considered dopaminergic treatment side effects. Cognitive and affective factors may increase the risk of ICD in PD. The aim is to investigate risky decision-making and associated cognitive processes in PD patients with ICDs within a four-stage conceptual framework. Relationship between ICDs and affective factors was explored. Thirteen PD patients with ICD (ICD+), 12 PD patients without ICD (ICD−), and 17 healthy controls were recruited. Overall risky decision-making and negative feedback effect were examined with the Balloon Analogue Risk Task (BART). A cognitive battery dissected decision-making processes according to the four-stage conceptual framework. Affective and motivational factors were measured. ANOVA showed no effect of group on overall risky decision-making. However, there was a group × feedback interaction [F (2, 39) = 3.31, p = 0.047]. ICD+, unlike ICD− and healthy controls, failed to reduce risky behaviour following negative feedback. A main effect of group was found for anxiety and depression [F(2, 38) = 8.31, p = 0.001], with higher symptoms in ICD+ vs. healthy controls. Groups did not differ in cognitive outcomes or affective and motivational metrics. ICD+ may show relatively preserved cognitive function, but reduced sensitivity to negative feedback during risky decision-making and higher symptoms of depression and anxiety.