Intelligent Modeling and Multi-Response Optimization of AWJC on Fiber Intermetallic Laminates through a Hybrid ANFIS-Salp Swarm Algorithm

The attainment of intricate part profiles for composite laminates for end-use applications is one of the tedious tasks carried out through conventional machining processes. Therefore, the present work emphasized hybrid intelligent modeling and multi-response optimization of abrasive waterjet cutting (AWJC) of a novel fiber intermetallic laminate (FIL) fabricated through carbon/aramid fiber, reinforced with varying wt% of reduced graphene oxide (r-GO) filled epoxy resin and Nitinol shape memory alloy as the skin material. The AWJC experiments were performed by varying the wt% of r-GO (0, 1, and 2%), traverse speed (400, 500, and 600 mm/min), waterjet pressure (200, 250, and 300 MPa), and stand-off distance (2, 3, and 4 mm) as the input parameters, whereas kerf taper (Kt) and surface roughness (Ra) were considered as the quality responses. A hybrid approach of a parametric optimized adaptive neuro-fuzzy inference system (ANFIS) was adopted through three different metaheuristic algorithms such as particle swarm optimization, moth flame optimization, and dragonfly optimization. The prediction efficiency of the ANFIS network has been found to be significantly improved through the moth flame optimization algorithms in terms of minimized prediction errors, such as mean absolute percentage error and root mean square error. Further, multi-response optimization has been performed for optimized ANFIS response models through the salp swarm optimization (SSO) algorithm to identify the optimal AWJC parameters. The optimal set of parameters, such as 1.004 wt% of r-GO, 600 mm/min of traverse speed, 214 MPa of waterjet pressure, and 4 mm of stand-off distance, were obtained for improved quality characteristics. Moreover, the confirmation experiment results show that an average prediction error of 3.38% for Kt and 3.77% for Ra, respectively, were obtained for SSO, which demonstrates the prediction capability of the proposed optimization algorithm

Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder

The ability to reproduce the experimental structure of water around the sodium and potassium ions is a key test of the quality of interaction potentials due to the central importance of these ions in a wide range of important phenomena. Here, we simulate the Na+ and K+ ions in bulk water using three density functional theory functionals: (1) the generalized gradient approximation (GGA) based dispersion corrected revised Perdew, Burke, and Ernzerhof functional (revPBE-D3) (2) the recently developed strongly constrained and appropriately normed (SCAN) functional (3) the random phase approximation (RPA) functional for potassium. We compare with experimental X-ray diffraction (XRD) and X-ray absorption fine structure (EXAFS) measurements to demonstrate that SCAN accurately reproduces key structural details of the hydration structure around the sodium and potassium cations, whereas revPBE-D3 fails to do so. However, we show that SCAN provides a worse description of pure water in comparison with revPBE-D3. RPA also shows an improvement for K+, but slow convergence prevents rigorous comparison. Finally, we analyse cluster energetics to show SCAN and RPA have smaller fluctuations of the mean error of ion-water cluster binding energies compared with revPBE-D3

Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes

The discovery of facile Li transport in disordered, Li-excess rocksalt materials has opened a vast new chemical space for the development of high energy density, low cost Li-ion cathodes. We develop a strategy for obtaining optimized compositions within this class of materials, exhibiting high capacity and energy density as well as good reversibility, by using a combination of low-valence transition metal redox and a high-valence redox active charge compensator, as well as fluorine substitution for oxygen. Furthermore, we identify a new constraint on high-performance compositions by demonstrating the necessity of excess Li capacity as a means of counteracting high-voltage tetrahedral Li formation, Li-binding by fluorine and the associated irreversibility. Specifically, we demonstrate that 10–12% of Li capacity is lost due to tetrahedral Li formation, and 0.4–0.8 Li per F dopant is made inaccessible at moderate voltages due to Li–F binding. We demonstrate the success of this strategy by realizing a series of high-performance disordered oxyfluoride cathode materials based on Mn²+/⁴+ and V⁴+/⁵+ redox.Vehicle Technologies Program (U.S.) (Contract No. DE-AC02-05CH11231)United States. Department of Energy. Office of Energy Efficiency and Renewable Energy. Advanced Battery Materials Research Program (Subcontract No. 7056411)National Science Foundation (U.S.) (Reward No. OCI-1147503)National Science Foundation (U.S.) (grant number ACI- 105357)National Science Foundation (U.S.) (NSF DMR 172025)United States. Department of Energy (Contract No. DE-AC02-06C H11357)United States. Department of Energy. Office of Science (contract no. DE-AC02-05CH11231

Effects of fluoxetine on functional outcomes after acute stroke (FOCUS): a pragmatic, double-blind, randomised, controlled trial

Background Results of small trials indicate that fluoxetine might improve functional outcomes after stroke. The FOCUS trial aimed to provide a precise estimate of these effects. Methods FOCUS was a pragmatic, multicentre, parallel group, double-blind, randomised, placebo-controlled trial done at 103 hospitals in the UK. Patients were eligible if they were aged 18 years or older, had a clinical stroke diagnosis, were enrolled and randomly assigned between 2 days and 15 days after onset, and had focal neurological deficits. Patients were randomly allocated fluoxetine 20 mg or matching placebo orally once daily for 6 months via a web-based system by use of a minimisation algorithm. The primary outcome was functional status, measured with the modified Rankin Scale (mRS), at 6 months. Patients, carers, health-care staff, and the trial team were masked to treatment allocation. Functional status was assessed at 6 months and 12 months after randomisation. Patients were analysed according to their treatment allocation. This trial is registered with the ISRCTN registry, number ISRCTN83290762. Findings Between Sept 10, 2012, and March 31, 2017, 3127 patients were recruited. 1564 patients were allocated fluoxetine and 1563 allocated placebo. mRS data at 6 months were available for 1553 (99·3%) patients in each treatment group. The distribution across mRS categories at 6 months was similar in the fluoxetine and placebo groups (common odds ratio adjusted for minimisation variables 0·951 [95% CI 0·839–1·079]; p=0·439). Patients allocated fluoxetine were less likely than those allocated placebo to develop new depression by 6 months (210 [13·43%] patients vs 269 [17·21%]; difference 3·78% [95% CI 1·26–6·30]; p=0·0033), but they had more bone fractures (45 [2·88%] vs 23 [1·47%]; difference 1·41% [95% CI 0·38–2·43]; p=0·0070). There were no significant differences in any other event at 6 or 12 months. Interpretation Fluoxetine 20 mg given daily for 6 months after acute stroke does not seem to improve functional outcomes. Although the treatment reduced the occurrence of depression, it increased the frequency of bone fractures. These results do not support the routine use of fluoxetine either for the prevention of post-stroke depression or to promote recovery of function. Funding UK Stroke Association and NIHR Health Technology Assessment Programme

Multi-Response Optimization of Abrasive Waterjet Cutting on r-GO-Reinforced Fibre Intermetallic Laminates through Moth–Flame Optimization Algorithm

Laminated metal-composite structures, also known as fibre metal laminates (FMLs), have emerged as prominent engineering materials in various industries, particularly in the domains of aircraft and automobile manufacturing. These materials are sought after due to their enhanced impact and fatigue resistance capabilities. The machining of FMLs plays a crucial role in achieving near-net shapes for the purpose of joining and assembling components. Delamination is a prevalent issue encountered during the process of conventional machining, thus rendering FMLs are challenging materials to machine. This study aims to investigate the cutting process of novel fibre intermetallic laminates (FILs) using the abrasive water jet (AWJ) cutting technique. The FILs consists of carbon and aramid fibers that are adhesively bonded with a resin matrix filled with reduced graphene oxide (r-GO) nano fillers. Moreover, these laminates contain embedded Nitinol shape memory alloy sheets as the skin materials. Specifically, the study aims to investigate the impact of different factors, such as the addition of reduced graphene oxide (r-GO) in the laminates (ranging from 0 to 2 wt%), traverse speed (ranging from 400 to 600 mm/min), waterjet pressure (ranging from 200 to 300 MPa), and nozzle height (ranging from 2 to 4 mm), on the material removal rate (MRR), delamination factor (FD), and kerf deviation (KD). ANOVA was used in the statistical analysis to determine the most influential parameters and their effects on the selected responses. The optimal AWJC parameters are determined using a metaheuristic-based moth–flame optimization (MFO) algorithm in order to enhance cut quality. The efficacy of MFO is subsequently compared with similar well-established metaheuristics such as the genetic algorithm, particle swarm algorithm, dragonfly algorithm, and grey-wolf algorithm. MFO was found to outperform in terms of several performance indices, including rapid divergence, diversity, spacing, and hypervolume values, among the algorithms compared

Unveiling the cerium(III)/(IV) structures and charge transfer mechanism in sulfuric acid

The Ce3+/Ce4+ redox couple has a charge transfer (CT) with extreme asymmetry and a large shift in redox potential depending on electrolyte composition. The redox potential shift and CT behavior are difficult to understand because neither the cerium structures nor the CT mechanism are well understood, limiting efforts to improve the Ce3+/Ce4+ redox kinetics in applications such as energy storage. Herein, we identify the Ce3+ and Ce4+ structures and CT mechanism in sulfuric acid via extended X-ray absorption fine structure spectroscopy (EXAFS), kinetic measurements, and density functional theory (DFT) calculations. We show EXAFS evidence that confirms that Ce3+ is coordinated by nine water molecules and suggests that Ce4+ is complexed by water and three bisulfates in sulfuric acid. Despite the change in complexation within the first coordination shell between Ce3+ and Ce4+, we show that the kinetics are independent of the electrode, suggesting outer-sphere electron-transfer behavior. We identify a two-step mechanism where Ce4+ exchanges the bisulfate anions with water in a chemical step followed by a rate-determining electron transfer step that follows Marcus theory (MT). This mechanism is consistent with all experimentally observed structural and kinetic data. The asymmetry of the Ce3+/Ce4+ CT and the observed shift in the redox potential with acid is explained by the addition of the chemical step in the CT mechanism. The fitted parameters from this rate law qualitatively agree with DFT-predicted free energies and the reorganization energy. The combination of a two-step mechanism with MT should be considered for other metal ion CT reactions whose kinetics have not been appropriately described.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/176715/1/jacsau.2c00484_-_Dylan_Herrera.pdfhttp://deepblue.lib.umich.edu/bitstream/2027.42/176715/2/annotated-Herrera_Dylan_Design_Expo_-_Dylan_Herrera.pd