Modeling of Electro-deposition and Mechanical Stability at Li Metal/Solid Electrolyte Interface during Plating in Solid-State Batteries

Interfacial deposition stability between Li metal and a solid electrolyte (SE) is important in preventing interfacial contact loss, mechanical fracture, and dendrite growth in Li-metal solid-state batteries (SSB). In this work, we investigate the deposition and mechanical stability at the Li metal/SE interface and its consequences (such as SE fracture and contact loss). A wide range of contributing factors are investigated, such as charge and mass transfer kinetics, the plasticity of Li metal and fracture of the SE, and the applied stack pressure. We quantify the effect of the ionic conductivity of the SE, the exchange current density of the interfacial charge-transfer reaction and SE surface roughness on the Li deposition stability at the Li metal/SE interface. We also propose a mechanical stability window for the applied stack pressure that can prevent both contact loss and SE fracture, which can be extended to other metal-electrode (such as Sodium) SSB systems.Comment: 38 pages, 7 figure

Grand-canonical Monte-Carlo simulation methods for charge-decorated cluster expansions

Monte-Carlo sampling of lattice model Hamiltonians is a well-established technique in statistical mechanics for studying the configurational entropy of crystalline materials. When species to be distributed on the lattice model carry charge, the charge balance constraint on the overall system prohibits single-site Metropolis exchanges in MC. In this article, we propose two methods to perform MC sampling in the grand-canonical ensemble in the presence of a charge-balance constraint. The table-exchange method (TE) constructs small charge-conserving excitations, and the square-charge bias method (SCB) allows the system to temporarily drift away from charge neutrality. We illustrate the effect of internal hyper-parameters on the efficiency of these algorithms and suggest practical strategies on how to apply these algorithms to real applications

Ab-initio study of short-range ordering in vanadium-based disordered rocksalt structures

Disordered rocksalt Li-excess (DRX) compounds are attractive new cathode materials for Li-ion batteries as they contain resource-abundant metals and do not require the use of cobalt or nickel. Understanding the delithiation process and cation short-range ordering (SRO) in DRX compounds is essential to improving these promising cathode materials. Herein, we use first-principles calculations along with the cluster-expansion approach to model the disorder in DRX Li2-xVO3, 0 < x < 1. We discuss the SRO of Li in tetrahedral and octahedral sites, and the order in which Li delithiates and V oxidizes with respect to local environments. We reveal that the number of nearest-neighbor V dictates the order of delithiation from octahedral sites and that V are oxidized in a manner that minimizes the electrostatic interactions among V. Our results provide valuable insight for tailoring the performance of V-based DRX cathode materials in general by controlling the SRO features that reduce energy density

Experiencia piloto de recarga gestionada en la MASb de Guillena-Cantillana (acuífero Niebla-Posadas).

Ante la necesidad de abastecer de agua potable a la población en el contexto climático actual, se plantea la posibilidad de promover actuaciones de recarga gestionada como una estrategia de gestión eficiente de los recursos hídricos. En el presente trabajo se ha escogido el tramo del acuífero Niebla-Posadas que corresponde a la MASb de Guillena-Cantillana, situado al N de la ciudad de Sevilla. Se trata de un acuífero constituido por arenas y calcarenitas del Mioceno superior, que afloran al sur del Macizo Hespérico (Sierra Morena) y constituyen la base del relleno sedimentario de la cuenca del Guadalquivir. El emplazamiento elegido para la prueba piloto ha sido el entorno de la denominada balsa de Melonares, que se encuentra entre Villaverde del Río y Burguillos (provincia de Sevilla). En el ensayo de recarga, que duró 5 días, se recargó un volumen de 4.183 m3 de agua, con una tasa media de 35 m3/día. La rápida recuperación observada en el sondeo de inyección, la estabilización del caudal de admisión en torno a 30 m3/día y la tenue respuesta en los puntos de control próximos, sugieren que la recarga se podría mantener satisfactoriamente de manera prolongada.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

Landscape evolution and geodynamic controls in the Gulf of Cadiz (Huelva coast, SW Spain) during the Late Quaternary

The coastal evolution of the El Abalario area (Huelva, southern Spain) during the Late Pleistocene and Holocene is reinterpreted after a refinement of the available geochronology by means of optically stimulated luminescence (OSL) dating. New data come from the analysis of soft sediment deformation, palaeosols, geomorphological mapping, and published seismic surveys on the onshore and offshore Gulf of Cadiz. The present structure of El Abalario dome resulted from the complex interaction of littoral-catchment processes and sea-level changes upon an emergent coastal plain, conditioned by the upwarping of the underlying Pliocene - Pleistocene prograding deltaic sequence. Upwarping is probably related to escape of over-pressurized fluids, accompanied by dewatering, prior to (?) and during OIS (Oxygen Isotopic Stage) 5. Continued upwarping produced the large NW - SE gravitational fault of Torre del Loro (TLF) in the southwestern flank of the dome, roughly parallel to the present coastline during OIS 5 - OIS 4. The resulting escarpment favoured the accumulation of aeolian sand dunes (units U1, U2, and U3) from OIS 5 to early OIS 1. Unit U1 (OIS 5) ends upwards in a supersurface with a thick weathering profile that suggests moist and temperate climatic conditions. Unit U2 accumulated mainly during OIS 4 and OIS 3 with prevailing W/E winds. The supersurface between U2 and U3 records a part of OIS 2, with relative low sea level. Sedimentation of unit U3 took place during the Last Deglaciation (radiocarbon and OSL ages) with prevailing W/SW winds, under a temperate moist climate, that became more arid towards the top (Holocene). A major supersurface with an iron crust-like layer (SsFe) developed during the Holocene Climatic Optimum (OIS 1) under wetter and more temperate conditions than before, fossilizing the TLF. The supersurface is covered by younger aeolian dunes (U4, U5, U6, and U7) transported by W - SW winds since the Late Neolithic - Chalcolithic cultural period (̃5.0 ky cal BP).Financial support from Spanish Projects BTE2002-1065 and BTE2002-1691. This is a contribution to IGCP 495 and to the INQUA “Coastal and Marine Processes Commission”

Datos geofísicos y evolución sedimentaria de la Depresión de la Janda (Cádiz)

La Janda lake is located ¡rito a tectonic graben filled by Pleistocene and Holocene fluvio-marine sediments. Geophysical survey consisting on Electric-logs and seismic refraction profiles aimed to determining the thickness of Quaternary sediments infilling the graben. Nevertheless, the results are significantly distorted by a saline aquifer that occupies most of the sedimentary filling. In any case it is possible to identify an assymetric subsident area reaching up to 300 m depth, characterised by very low apparent resistivities (1.5-2.4 W/m). This thick geoelectrical unit can be preliminary subdivided into 3 different subunits here called A, 67, B2, characterised by resistivity differences. The shallow 4-6 m thick Unit A consists of a thin lacustrine and alluvial day and silts of Holocene age easily recognized in seismic refraction profiles and drill cores. Unit B can be separated in two subunits; Both are saturated in brackish or saline waters; B1 is a 20-40 m thick unit that thins northward and correspond to the Plio-Pleistocene, B2 is a slightly more resistive unit that extends from this depth to 352 m and corresponds to deeply weathered mio-pliocene sandstones. The upper part of Sub-unit 87 correspond to estuarine sands recorded in a previous core which deposition finishes at ca. 3810 cal BP. A sharp normal fault limits the southern part of La Janda assymetric grabenPeer reviewe

Recursos patrimoniales y organización territorial: el caso de Andalucía

El artículo pretende identificar y categorizar el patrimonio natural y cultural que cuenta con algún tipo de reconocimiento oficial en Andalucía, centrando la atención en su dimensión espacial. Para ello se utilizan las unidades territoriales recogidas en las Bases para una Carta sobre Patrimonio y Desarrollo en Andalucía: áreas urbanas, litorales, vegas y campiñas y zonas de montaña. En primer lugar se atiende al patrimonio natural, y posteriormente al cultural. En ambos casos se enumeran cuáles son las figuras de reconocimiento internacional, nacional y autonómico existentes en la región, y posteriormente se atiende a su distribución en las unidades territoriales anteriormente mencionadas. Se concluye argumentando que sólo a través del tratamiento conjunto de los activos patrimoniales con que cuenta un territorio se podrá conseguir que éstos se conviertan en un recurso para su desarrollo y, en este sentido, la territorialización patrimonial planteada en este artículo puede constituir un buen punto de partida

El efecto de los ciclos climáticos en las variaciones del nivel del mar

Ejemplar dedicado a: Miscelánea en homenaje a Emiliano Aguirre. GeologíaPeer reviewe

Laparoscopy in management of appendicitis in high-, middle-, and low-income countries: a multicenter, prospective, cohort study.

BACKGROUND: Appendicitis is the most common abdominal surgical emergency worldwide. Differences between high- and low-income settings in the availability of laparoscopic appendectomy, alternative management choices, and outcomes are poorly described. The aim was to identify variation in surgical management and outcomes of appendicitis within low-, middle-, and high-Human Development Index (HDI) countries worldwide. METHODS: This is a multicenter, international prospective cohort study. Consecutive sampling of patients undergoing emergency appendectomy over 6 months was conducted. Follow-up lasted 30 days. RESULTS: 4546 patients from 52 countries underwent appendectomy (2499 high-, 1540 middle-, and 507 low-HDI groups). Surgical site infection (SSI) rates were higher in low-HDI (OR 2.57, 95% CI 1.33-4.99, p = 0.005) but not middle-HDI countries (OR 1.38, 95% CI 0.76-2.52, p = 0.291), compared with high-HDI countries after adjustment. A laparoscopic approach was common in high-HDI countries (1693/2499, 67.7%), but infrequent in low-HDI (41/507, 8.1%) and middle-HDI (132/1540, 8.6%) groups. After accounting for case-mix, laparoscopy was still associated with fewer overall complications (OR 0.55, 95% CI 0.42-0.71, p < 0.001) and SSIs (OR 0.22, 95% CI 0.14-0.33, p < 0.001). In propensity-score matched groups within low-/middle-HDI countries, laparoscopy was still associated with fewer overall complications (OR 0.23 95% CI 0.11-0.44) and SSI (OR 0.21 95% CI 0.09-0.45). CONCLUSION: A laparoscopic approach is associated with better outcomes and availability appears to differ by country HDI. Despite the profound clinical, operational, and financial barriers to its widespread introduction, laparoscopy could significantly improve outcomes for patients in low-resource environments. TRIAL REGISTRATION: NCT02179112

Pooled analysis of WHO Surgical Safety Checklist use and mortality after emergency laparotomy

Background The World Health Organization (WHO) Surgical Safety Checklist has fostered safe practice for 10 years, yet its place in emergency surgery has not been assessed on a global scale. The aim of this study was to evaluate reported checklist use in emergency settings and examine the relationship with perioperative mortality in patients who had emergency laparotomy. Methods In two multinational cohort studies, adults undergoing emergency laparotomy were compared with those having elective gastrointestinal surgery. Relationships between reported checklist use and mortality were determined using multivariable logistic regression and bootstrapped simulation. Results Of 12 296 patients included from 76 countries, 4843 underwent emergency laparotomy. After adjusting for patient and disease factors, checklist use before emergency laparotomy was more common in countries with a high Human Development Index (HDI) (2455 of 2741, 89.6 per cent) compared with that in countries with a middle (753 of 1242, 60.6 per cent; odds ratio (OR) 0.17, 95 per cent c.i. 0.14 to 0.21, P <0001) or low (363 of 860, 422 per cent; OR 008, 007 to 010, P <0.001) HDI. Checklist use was less common in elective surgery than for emergency laparotomy in high-HDI countries (risk difference -94 (95 per cent c.i. -11.9 to -6.9) per cent; P <0001), but the relationship was reversed in low-HDI countries (+121 (+7.0 to +173) per cent; P <0001). In multivariable models, checklist use was associated with a lower 30-day perioperative mortality (OR 0.60, 0.50 to 073; P <0.001). The greatest absolute benefit was seen for emergency surgery in low- and middle-HDI countries. Conclusion Checklist use in emergency laparotomy was associated with a significantly lower perioperative mortality rate. Checklist use in low-HDI countries was half that in high-HDI countries.Peer reviewe