Facile Synthesis of Surface-Modified Hollow-Silica (SiO2) Aerogel Particles via Oil-Water-Oil Double Emulsion Method.

Due to their high surface area and low weight, silica aerogels are ideally suited for several uses, including drug delivery, catalysis, and insulation. Oil-water-oil (OWO) double emulsion is a simple and regulated technique for encasing a volatile oil phase in a silica shell to produce hollow silica (SiO2) aerogel particles by using hydrophilic and hydrophobic emulsifiers. In this study, the oil-water-oil (OWO) double emulsion method was implemented to synthesize surface-modified hollow silica (SiO2) aerogel particles in a facile and effective way. This investigation mainly focused on the influence of the N-hexane-to-water glass (OW) ratio (r) in the first emulsion, silica (water glass) content concentration (x), and surfactant concentration (s) variations. Furthermore, surface modification techniques were utilized to customize the aerogel's characteristics. The X-ray diffraction (XRD) patterns showed no imprints of impurities except SiO2. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images highlight the hollow microstructure of silica particles. Zeta potential was used to determine particle size analysis of hollow silica aerogel particles. The oil-water-oil (OWO) double emulsion approach was successfully employed to synthesize surface-modified hollow silica (SiO2) aerogel particles, providing precise control over the particle characteristics. By the influence of the optimization condition, this approach improves the aerogel's potential applications in drug delivery, catalysis, and insulation by enabling surface modifications.

Real-time analysis and prediction method of ion concentration using the effect of O-H stretching bands in aqueous solutions based on ATR-FTIR spectroscopy.

Analyzing the concentration of ions in aqueous solutions in real-time plays an important role in the fields of chemistry and biology. Traditional methods for measuring ion concentrations, such as concentration analysis by measuring electrical conductivity, inductively coupled plasma mass spectrometry, and ion chromatography, have been used in many research fields. However, these methods are limited in determining ion concentrations instantaneously. Fourier-transform infrared-attenuated total reflectance (ATR-FTIR) spectroscopy provides a new approach for determining ion concentrations in aqueous solutions. This allows for fast analysis without pretreatment and is scalable for real-time measurements. In this study, we present a method for measuring ion concentrations by examining ion-water interactions in the O-H stretching band of aqueous solutions using ATR-FTIR spectroscopy. Five aqueous solutions, namely LiCl + HCl, LiOH + HCl, LiOH, Li3PO4, and NaCl were used in the experiments and prepared at concentrations between 0.5-2 M. The ion concentrations in the prepared aqueous solutions were measured using ATR-FTIR spectroscopy. We observed that the difference in absorbance increased and decreased linearly with changes in concentration. The concentration of ions in the aqueous solution could be measured by validating the designed linear regression analysis function model. In this study, we proposed five linear regression analysis function models, all of which showed high coefficients of determination above 0.9, with the highest coefficient of determination reaching 0.9969. These results show that ATR-FTIR spectroscopy has the potential to be applied as a rapid and simple concentration analysis system.

Synthesis of Aluminum-Based Metal-Organic Framework (MOF)-Derived Carbon Nanomaterials and Their Water Adsorption Isotherm.

The characteristics of water vapor adsorption depend on the structure, porosity, and functional groups of the material. Metal-organic framework (MOF)-derived carbon (MDC) is a novel material that exhibits a high specific area and tunable pore sizes by exploiting the stable structure and porosity of pure MOF materials. Herein, two types of aluminum-based MOFs were used as precursors to synthesize hydrophobic microporous C-MDC and micro-mesoporous A-MDC via carbonization and activation depending on the type of ligands in the precursors. C-MDC and A-MDC have different pore characteristics and exhibit distinct water adsorption properties. C-MDC with hydrophobic properties and micropores exhibited negligible water adsorption (108.54 mgg-1) at relatively low pressures (P/P0~0.3) but showed a rapid increase in water adsorption ability (475.7 mgg-1) at relative pressures of about 0.6. A comparison with the isotherm model indicated that the results were consistent with the theories, which include site filling at low relative pressure and pore filling at high relative pressure. In particular, the Do-Do model specialized for type 5 showed excellent agreement.

Efficacy of Antibiotic and Non-antibiotic Interventions in Preventing and Treating Necrotic Enteritis in Broiler Chickens: A Systematic Review.

The objective of this systematic review was to compare the efficacy of antibiotic and non-antibiotic alternatives in the prevention and treatment of necrotic enteritis (NE) in broiler chickens. In vivo experimental and observational studies that compared the administration of non-antibiotic compounds with antibiotics to prevent or treat NE in broiler chickens and that evaluated mortality and/or clinical or subclinical NE outcome measures were eligible. Four electronic databases were searched in December 2019 and updated in October 2021. Retrieved studies were evaluated in two phases: abstract and design screening. Data were then extracted from included studies. Risk of bias was assessed by outcome following the Cochrane Risk of Bias 2.0 tool. A meta-analysis was not conducted due to heterogeneity across interventions and outcomes. The non-antibiotic and antibiotic groups were compared at the outcome level for individual studies using the mean difference and 95% confidence interval (CI) calculated post hoc from raw data. In total, 1282 studies were originally identified, and 40 were included in the final review. The overall risk of bias for the 89 outcomes was either "high" (n = 34) or "some concerns" (n = 55). Individual study comparisons showed a beneficial trend toward the antibiotic group for reduced mortality, NE lesion scores (overall, jejunum, and ileum), Clostridium perfringens counts, and for most histologic measurements (duodenum, jejunum, and ileum villi height, and jejunum and ileum crypt depth). The non-antibiotic groups showed a beneficial trend for NE duodenum lesion scores and duodenum crypt depth measurements. Based on this review, there is a trend that mostly favors antibiotic compounds in preventing and/or treating NE, but the evidence also suggests no difference when comparing them with non-antibiotic alternatives. Studies assessing this research question were heterogeneous in their intervention conditions and outcomes measured, and there were key aspects of the experimental design not reported in some of the studies.

Eficacia de las intervenciones con antibióticos y compuestos no antibióticos para prevenir y tratar la enteritis necrótica en pollos de engorde: Una revisión sistemática El objetivo de esta revisión sistemática fue comparar la eficacia de antibióticos y alternativas a los antibióticos en la prevención y tratamiento de la enteritis necrótica (NE) en pollos de engorde. Se incluyeron estudios experimentales in vivo y estudios observacionales que compararon la administración de compuestos no considerados antibióticos con compuestos antibióticos usados para prevenir o tratar la enteritis necrótica en pollos de engorde, y que evaluaran mortalidad, signos clínicos, u otros resultados subclínicos. Se buscaron referencias en cuatro bases de datos bibliográficos en Diciembre de 2019 y por segunda vez en Octubre de 2021. Los estudios que se encontraron se evaluaron en dos fases: resumen y diseño del estudio de escrutinio. Posteriormente se extrajeron los datos de aquellos estudios que se incluyeron después del escrutinio. Se evaluó el riesgo de sesgos siguiendo la herramienta de Cochrane Risk of Bias 2.0. No se pudo realizar un meta-análisis debido a la heterogeneidad de las intervenciones y de los resultados de los estudios incluidos. Los grupos de compuestos no antibióticos y de antibióticos se compararon con base a los resultados individuales de cada estudio usando la diferencia entre medias e intervalos de confianza al 95%, calculados post-hoc usando los datos originales. Se identificaron un total de 1282 estudios, y 40 fueron finalmente incluidos en la revisión. El riesgo de sesgos para el total de los 89 resultados individuales fue alto (n = 34) o con "ciertos problemas" (n = 55). Las comparaciones individuales entre estudios mostraron una tendencia beneficiosa hacia el grupo de antibióticos en términos de mortalidad reducida, puntaje de lesiones de enteritis necrótica (total, yeyuno e íleo), conteos de Clostridium perfringens, así como para la mayoría de las medidas histológicas (altura de las vellosidades del duodeno, yeyuno e íleo, y profundidad de la cripta del yeyuno e íleo). El grupo de no antibióticos mostró una tendencia beneficiosa para el puntaje de lesiones de enteritis necrótica del duodeno y para las medidas de profundidad de la cripta del duodeno. Según esta revisión, hay una tendencia que favorece al grupo de antibióticos en la prevención y/o tratamiento de enteritis necrótica, pero la evidencia también sugiere que no hay diferencia entre los grupos. Los estudios incluidos en la comparación eran muy heterogéneos en cuanto a las condiciones de las intervenciones y a los resultados que se midieron, además de que algunos aspectos importantes del diseño experimental en algunos de los estudios no se reportaron.

Enhanced performance of TiO2 nanoparticle and aerogel composite electrode for dye sensitized solar cell.

To evaluate the effects of specific surface area to the photocurrent conversion efficiency of dye-sensitized solar cell (DSC), we adopted TiO2 aerogel (TA)/nanoparticle (TP) composite as a photoelectrode. We prepared three types of photoelectrodes, TPs, TAs, and TATPs (1:1 TAs and TPs composite photoelectrode). The performance of TATP composite electrode was compared with that of TP and TAs. TATPs showed the improved cell efficiency, more than 0.5%, compared with a reference TPs below 15 micrometer thickness. Although the introduction of TAs increases the specific surface area for the dye adsorption, DSC composed of only TAs does not show the best efficiency result due to the crack generation. In conclusion, to produce the best photocurrent conversion efficiency, the high specific surface area of TiO2 photoelectrode for high dye adsorption should be balanced with proper control of the good electron transfer path.

Preparation and Characterization of Lithium Ion Conductive Organic/Inorganic Composite Solid Electrolyte.

The purpose of this study was to improve the ionic conductivity and physical properties of a polymer electrolyte by complexing it with ceramic particles. First, a polymer/ceramic composite solid electrolyte was prepared by synthesizing a super porous silica aerogel powder and adding it to a slurry containing a polyethylene oxide (PEO)-based polymer electrolyte; then, the electrochemical properties of electrolyte of different compositions were confirmed. PEO and polymethyl methacrylate (PMMA) were copolymerized, the optimum ratio of lithium salt, plasticizer, and silica aerogel was determined, and ion conductivity of the composite electrolyte was improved. When the EO:Li ratio was 10:1, the glass transition temperature was the lowest, and the room-temperature ion conductivity was improved to 3.0 × 10-5 S/cm. As a result of XRD and thermal analysis, it was confirmed that the stability and durability of the electrolyte interface can also be improved by complexation of the polymer electrolyte with ceramic particles.

Fabrication of Durable Ni-YSZ Hydrogen Electrode for High-Temperature Solid Electrolyzer Cells.

Solid oxide electrolyzer cells with an Ni-Fe-yttria-stabilized zirconia (Ni-Fe-YSZ) hydrogen electrode as the cathode, lanthanum strontium ferrite (LSCF)-gadolinia-doped ceria (GDC) air electrode as the anode, and YSZ as the electrolyte were fabricated, and the oxidation protection effect of sacrificial Fe particles was investigated. X-ray diffraction analysis indicated that Ni was protected from oxidation under a water vapor atmosphere by sacrificial Fe. Scanning electron microscopy observations suggested that the Ni particles accumulated in the Ni-YSZ hydrogen electrode, which might have been associated with the partial oxidation of Ni during cell operation at 700 °C in 50% H2O/15% H2/35% Ar atmosphere. No appreciable microstructural changes were observed for the Ni-Fe-YSZ hydrogen electrode. Furthermore, the presence of the sacrificial Fe particles could be responsible for the superior durability of the cell, compared with that of the cell featuring the conventional Ni-YSZ hydrogen electrode.

Thermal Gelation for Synthesis of Surface-Modified Silica Aerogel Powders.

A spherical silica aerogel powder with hydrophobic surfaces displaying a water contact angle of 147° was synthesized from a water glass-in-hexane emulsion through ambient pressure drying. Water glass droplets containing acetic acid and ethyl alcohol were stabilized in n-hexane with a surfactant. Gelation was performed by heating the droplets, followed by solvent exchange and surface modification using a hexamethyldisilazane (HMDS)/n-hexane solution. The pH of the silicic acid solution was crucial in obtaining a highly porous silica aerogel powder with a spherical morphology. The thermal conductivity, tapped density, pore volume, and BET surface area of the silica aerogel powder were 22.4 mW·m-1K-1, 0.07 g·cm-3, 4.64 cm3·g-1, and 989 m2·g-1, respectively. Fourier transform infrared (FT-IR) spectroscopy analysis showed that the silica granule surface was modified by Si-CH3 groups, producing a hydrophobic aerogel.

Ionic and Electronic Conductivities of Lithium Argyrodite Li6PS5Cl Electrolytes Prepared via Wet Milling and Post-Annealing.

Lithium argyrodite Li6PS5Cl powders are synthesized from Li2S, P2S5, and LiCl via wet milling and post-annealing at 500°C for 4 h. Organic solvents such as hexane, heptane, toluene, and xylene are used during the wet milling process. The phase evolution, powder morphology, and electrochemical properties of the wet-milled Li6PS5Cl powders and electrolytes are studied. Compared to dry milling, the processing time is significantly reduced via wet milling. The nature of the solvent does not affect the ionic conductivity significantly; however, the electronic conductivity changes noticeably. The study indicates that xylene and toluene can be used for the wet milling to synthesize Li6PS5Cl electrolyte powder with low electronic and comparable ionic conductivities. The all-solid-state cell with the xylene-processed Li6PS5Cl electrolyte exhibits the highest discharge capacity of 192.4 mAh·g-1 and a Coulombic efficiency of 81.3% for the first discharge cycle.

Association of Broiler Litter Microbiome Composition and Campylobacter Isolation.

Infection with Campylobacter species is one of the leading causes of bacterial diarrhea in humans in the US. Chickens, which become colonized on the farm, are important reservoirs of this bacterium. Campylobacter can establish itself in the broiler house via a variety of sources, can survive in the litter of the house, and possibly persist over successive flock cycles. However, the role of the broiler litter microbiome on Campylobacter persistence is not clear. A matched case-control study was conducted to determine whether the broiler litter microbiome composition was associated with Campylobacter isolation within the broiler house. Flocks were classified as cases when either Campylobacter jejuni or Campylobacter coli was isolated in boot sock samples, or as controls otherwise. Case and control flocks were matched at the broiler house level. Composite broiler litter samples were collected and used for DNA extraction and 16S rRNA gene V4 region sequencing. Reads were processed using the DADA2 pipeline to obtain a table of amplicon sequence variants. Alpha diversity and differential bacterial relative abundance were used as predictors of Campylobacter isolation status in conditional logistic regression models adjusting for flock age and sampling season. Beta diversity distances were used as regressors in stratified PERMANOVA with Campylobacter isolation status as predictor, and broiler house as stratum. When Campylobacter was isolated in boot socks, broiler litter microbiome richness and evenness were lower and higher, respectively, without reaching statistical significance. Campylobacter isolation status significantly explained a small proportion of the beta diversity (genus-level Aitchison dissimilarity distance). Clostridium and Anaerostipes were positively associated with Campylobacter isolation status, whereas Bifidobacterium, Anaerosporobacter, and Stenotrophomonas were negatively associated. Our results suggest the presence of bacterial interactions between Campylobacter and the broiler litter microbiome. The negative association of Campylobacter with Bifidobacterium, Anaerosporobacter, and Stenotrophomonas in litter could be potentially exploited as a pre-harvest control strategy.

All-Solid-State Lithium-Ion Batteries with Oxide/Sulfide Composite Electrolytes.

Li6.3La3Zr1.65W0.35O12 (LLZO)-Li6PS5Cl (LPSC) composite electrolytes and all-solid-state cells containing LLZO-LPSC were fabricated by cold pressing at room temperature. The LPSC:LLZO ratio was varied, and the microstructure, ionic conductivity, and electrochemical performance of the corresponding composite electrolytes were investigated; the ionic conductivity of the composite electrolytes was three or four orders of magnitude higher than that of LLZO. The high conductivity of the composite electrolytes was attributed to the enhanced relative density and the rule of mixture for soft LPSC particles with high lithium-ion conductivity (~10-4 S·cm-1). The specific capacities of all-solid-state cells (ASSCs) consisting of a LiNi0.8Co0.1Mn0.1O2 (NCM811) cathode and the composite electrolytes of LLZO:LPSC = 7:3 and 6:4 were 163 and 167 mAh·g-1, respectively, at 0.1 C and room temperature. Moreover, the charge-discharge curves of the ASSCs with the composite electrolytes revealed that a good interfacial contact was successfully formed between the NCM811 cathode and the LLZO-LPSC composite electrolyte.

Survey of the U.S. Broiler Industry Regarding Pre- and Postharvest Interventions Targeted To Mitigate Campylobacter Contamination on Broiler Chicken Products.

ABSTRACT: Campylobacter is one of the most commonly reported foodborne pathogens in the United States. Because poultry is considered a major source of Campylobacter infections in humans, reduction of Campylobacter contamination in poultry products is likely the most important and effective public health strategy for reducing the burden of campylobacteriosis in humans. A comprehensive on-line survey was conducted of key stakeholders in the U.S. broiler industry, including broiler farm managers (n = 18), poultry veterinarians (n = 18), and processing plant managers (n = 20), to assess the current pre- and postharvest Campylobacter interventions and control measures practiced by the industry for reducing Campylobacter contamination of broiler products. The survey also included information regarding each respondent's understanding of Campylobacter transmission and ecology in relation to broiler production. The results revealed that a majority of the establishments included in the survey are following the U.S. Department of Agriculture, Food Safety and Inspection Service guidelines for controlling Campylobacter contamination in broiler flocks and on carcasses. However, establishments appeared to be putting more effort into Salmonella control than into Campylobacter control both on the farm and in the processing plant. A majority of the respondents responded that current interventions are not effective for reducing Campylobacter contamination, especially on the farm. Many respondents did not understand the risk factors associated with Campylobacter colonization in broiler flocks and on carcasses. Continued educational and training programs for key stakeholders in the U.S. broiler industry are needed to increase awareness of the issues associated with Campylobacter infection in broiler chickens and of the fact that Campylobacter infection is a multifaceted problem that requires efforts from both the pre- and postharvest sectors.

Comparison of relative expressions of genes involved in iron acquisition and regulation in fluoroquinolone-resistant and wild-type Campylobacter jejuni.

Campylobacteriosis caused by C. jejuni is a serious yet common foodborne disease in the U.S. The prevalence of fluoroquinolone-resistant C. jejuni from poultry has continued to increase despite the withdrawal of fluoroquinolone use in the U.S. poultry industry in 2005. To date, no clear selective pressures that explain this effect have been documented. In this study, we investigated limited bioavailability of iron in poultry and enhanced iron uptake and regulation as potential indirect selective pressures conferring fitness advantages in fluoroquinolone-resistant C. jejuni compared to its susceptible wild-type counterpart. Five fluoroquinolone-susceptible C. jejuni isolates were selected from litter collected from commercial broiler farms. Using antibiotic selection, five fluoroquinolone-resistant strains were created. Relative expressions of six genes involved in iron acquisition and regulation were compared between the resistant and susceptible strains using RT-qPCR under normal and iron-limiting conditions. High variability in the relative gene expressions was observed among the strains, with only one resistant strain showing the consistent upregulation of the measured genes compared to the matching susceptible wild-type. Our results suggest that the hypothesis tested in the study may not be an adequate explanation of the molecular mechanism behind the enhanced fitness of fluoroquinolone-resistant C. jejuni compared to susceptible C. jejuni. This study highlights the need for a better understanding of the complex ecology and dynamics of fluoroquinolone resistance in C. jejuni in poultry environment and warrants an examination of fluoroquinolone-resistant C. jejuni strains recovered from the natural broiler chicken environment.

Synthesis of Ceramic/Polymer Nanocomposite Electrolytes for All-Solid-State Batteries.

Lithium-ion conducting nanocomposite solid electrolytes were synthesized from polyethylene oxide (PEO), poly(methyl methacrylate) (PMMA), LiClO4, and Li1.3Al0.3Ti1.7(PO4)3 (LATP) ceramic particles. The synthesized nanocomposite electrolyte consisted of LATP particles and an amorphous polymer. LATP particles were homogeneously distributed in the polymer matrix. The nanocomposite electrolytes were flexible and self-standing. The lithium-ion conductivity of the nanocomposite electrolyte was almost an order of magnitude higher than that of the PEO/PMMA solid polymer electrolyte.

Fabrication of Ce-Promoted Ni/Al2O3 Methane Steam Reforming Catalysts by Impregnation.

CeO2-promoted Ni/Al2O3 catalysts were fabricated by impregnation. The effects of the CeO2 promotion and impregnation order on the microstructural evolution and catalytic durability were investigated for methane steam reforming. The CeO2-promoter nanoparticles resulted in good dispersion and reduced particle size of Ni catalysts. The enhanced durability of CeO2-promoted Ni/Al2O3 catalysts might be associated with the depression of carbon deposition by the presence of CeO2-promoter nanoparticles.

Polymer Solution Route for Synthesis of Nano-Sized, SiO2 Based Ceramic Powders.

Nano-sized SiO2 based powders were fabricated by a polymer solution technique. Nitrate metal sources and Ludox series silica sol were dissolved in D.I. water and then polyvinyl alcohol solution was added as a polymeric carrier. The metal cations were dispersed well in the solution and a homogeneous polymeric network was formed. The organic-inorganic precursor gels were turned to a porous powder with expanded volume through an explosive oxidation reaction during calcination process. The polymer molecular weight, polymer content and heating rate affected the particle agglomeration and size. The reaction between oxygen and unstable metal cations resulted in a vigorous exothermic reaction and simultaneously the reaction created extensive voids, which accompanied soft powders. The porous powders were crystallized at relatively lower temperature, and easily ground to a very fine powder having nano-sized particles. The crystalline development was also dependent on the polymer type, and the weak hydrogen bonding by optimum polymer content promoted homogeneous entrapment between the -(OH) hydroxyl groups and cations, which are solvates by water molecules.

Formulation of a graft polymer-containing aqueous yellow ceramic ink for digital ink-jet printing.

We herein reported the preparation of an eco-friendly aqueous yellow ceramic ink and subsequent examination of its printability for ink-jet printing applications. For this purpose, a water based ceramic ink was formulated using ceramic pigments to give a clear color during high-temperature heat treatment (>1000 °C), ultimately yielding an ink suitable for application in ceramic tile decoration. To improve the low dispersion stability of the aqueous ceramic ink compared to that of a conventional organic solvent-based ceramic ink, the pigment particles were dispersed using a graft polymer. More specifically, this graft polymer was composed of polyacrylic acid as the main chain to provide electrostatic repulsion and grafted poly(ethylene glycol) methyl ether methacrylate as the side chain to provide steric hindrance. Furthermore, additive-induced foaming issues were significantly reduced through the use of this graft polymer as a surfactant. The effects of the rheological properties of the prepared ceramic ink and the subsequent operation conditions of the piezoelectric print head were then investigated in detail to optimize the ink jettability and printability.

The Effect of Co-Doping at the A-Site on the Structure and Oxide Ion Conductivity in (Ba0.5-xSrx)La0.5InO3-δ: A Molecular Dynamics Study.

A molecular dynamics simulation was used to investigate the structural and transport properties of a (Ba0.5-xSrx)La0.5InO3-δ (x = 0, 0.1, 0.2) oxygen ion conductor. Previous studies reported that the ionic conductivity of Ba-doped LaInO3 decreases because Ba dopant forms a narrow oxygen path in the lattice, which could hinder the diffusion of oxygen ions. In this study, we reveal the mechanism to improve ionic conductivity by Ba and Sr co-doping on an La site in LaInO3 perovskite oxide. The results show that the ionic conductivity of (Ba0.5-xSrx)La0.5InO3-δ increases with an increasing number of Sr ions because oxygen diffusion paths which contain Sr ions have a larger critical radius than those containing Ba ions. The radial distribution function (RDF) calculations show that the peak heights in compositions including Sr ions were lower and broadened, meaning that the oxygen ions moved easily into other oxygen sites.

Impact of point sources on antibiotic resistance genes in the natural environment: a systematic review of the evidence.

There is a growing concern about the role of the environment in the dissemination of antibiotic resistant bacteria (ARB) and antibiotic resistance genes (ARG). In this systematic review, we summarize evidence for increases of ARG in the natural environment associated with potential sources of ARB and ARG such as agricultural facilities and wastewater treatment plants. A total of 5247 citations were identified, including studies that ascertained both ARG and ARB outcomes. All studies were screened for relevance to the question and methodology. This paper summarizes the evidence only for those studies with ARG outcomes (n = 24). Sixteen studies were at high (n = 3) or at unclear (n = 13) risk of bias in the estimation of source effects due to lack of information or failure to control for confounders. Statistical methods were used in nine studies; three studies assessed the effect of multiple sources using modeling approaches, and none reported effect measures. Most studies reported higher ARG concentration downstream/near the source, but heterogeneous findings hindered making any sound conclusions. To quantify increases of ARG in the environment due to specific point sources, there is a need for studies that emphasize analytic or design control of confounding, and that provide effect measure estimates.

Molecular Dynamics Simulation of Oxygen Ion Conduction in Orthorhombic Perovskite Ba-Doped LaInO3 Using Cubic and Orthorhombic Model.

The oxygen ion conduction behavior of an orthorhombic perovskite oxide Ba-doped LaInO3 was evaluated by molecular dynamics simulation. Comparative calculations for cubic and the orthorhombic models show that the orthorhombic model was in better agreement with the experimental results with respect to both ionic conductivity and activation energy. The results of the radial distribution function for O-O pair provided and explanation for why the ionic conductivity of cubic perovskite is higher than that of orthorhombic perovskite. The orthorhombic model has a higher peak intensity of O-O pair than the cubic model, it means that the orthorhombic model has a smaller number of oxygen-vacancy pairs in the lattice structure. Consequently, the ionic conductivity of orthorhombic perovskite is lower than that of cubic perovskite due to less conduction path.