Optimal Combination Of Materials Research Articles

Quantum-Chemistry Enabled AI for Materials Discovery for Energy Storage

A priori and reliable simulations can enable timely and cost-efficient design and discovery of materials for energy. Therefore, ‘Let’s Start from Computing’ is an optimal approach to initialize modern day R&D processes. In energy storage, beyond lithium-ion (BLI) research has the potential to revolutionize consumer electronics including portable and stationary power, transportation, and grid energy storage sectors. Multi-valent (Mg, Ca, Zn) energy storage or economically viable monovalent (Na, K) batteries, high-density metal-air, metal-sulfur batteries, or grid-storage systems are considered in the beyond lithium-ion research and development. All these R&D efforts require significant fundamental knowledge via a priori computations for materials discovery, property prediction, and optimization. Atomistic modeling when coupled with reliable Artificial Intelligence (AI) approaches can provide accurate insights to accelerate discovery of optimalelectrolytes, electrodes, and membranes for BLI systems to reduce the cost. Thus, coupled with AI and multi-scale simulations techniques, atomistic modeling can address prediction of molecular level properties of materials (redox potentials, solvation, spectroscopic, and reactivity) to down-select optimal materials or material combinations. In this presentation, I will describe some of our recent efforts in active learning coupled with large scale first principles simulations to down select/optimize desired molecules for flow battery technology. This concept can be utilized for design of experiments using autonomous experimentation. Additionally, I will describe some of our quantum chemistry-informed molecular property predictions redoxmers and liquid organic hydrogen carriers. In addition to molecules, I will present. A data driven approach to study longer time scale diffusion of ions for multivalent battery concepts. Figure 1

Dielectric Materials As Optical Emitters for Thermophotovoltaics

Thermophotovoltaics (TPV) are a promising route for converting heat generated as a byproduct into usable electricity through a clean energy paradigm. A primary challenge in the field is that the material options used to date for the optical emitters substantially constrain the power conversion efficiency of this process. Thus, we screened the optical response (i.e. permittivity) of >2,800 material combinations with melting point >2,000 oC, comprising refractory silicides, borides, carbides, nitrides, oxides, and metals [1]. Overall, the mismatch in permittivity allowed for emission control, key for the development of high performing TPV. We found a handful of emitters for TPV with theoretical efficiency >60% at 1800 oC, for GaSb solar cells. To complement our analysis, we also identified optimal material combinations for InGaAsSb, InGaAs, Ge, GaSb, and Si photovoltaic devices. The final down selection of materials is also based on their thermal expansion and thermochemical stability, which are frequently overlooked. The discussion of the best material options will be accompanied by the optical characterization of selected materials up to 1500 oC, using in situ reflection and transmission measurements [2]. Finally, we will discuss the specific case of SiC/AlN emitters for the abovementioned photovoltaic options [3].

Enhancement of Tensile Strength of Coconut Shell Ash Reinforced Al-Si Alloys: A Novel Approach to Optimise Composition and Process Parameters Simultaneously

The research presents a novel approach to develop high-strength functionally graded composite materials (FGCMs) by using recycled coconut shell ash (CSA) particles as reinforcement for a hypereutectic Al-Si alloy matrix. Using a centrifugal casting technique, test specimens are prepared for the study under ASTM standards. The optimal combination of materials to maximise the materials’ overall tensile strength is obtained through the mixture methodology approach. The results show that CSA particles in the matrix material increase the tensile strength of the produced material. Process parameters, melting temperature and rotating speed were found to play a pivotal role in determining the tensile strength. A better tensile strength of the material is obtained when Al-Si = 90.5 wt%, CSA = 9.5 wt%, rotating speed = 800 RPM, and melting temperature = 800 °C; the proposed regression model developed has substantial predictability for tensile strength. This work presents a methodology for enhancing the tensile strength of FGCMs by optimising both the material composition and processing parameters. The achieved tensile strength of 197.4 MPa, at 800 RPM and 800 °C, for a concentration of 7.5 wt% CSA particles, makes these FGCMs suitable for use in multiple engineering sectors.

Research of Memristor Effect in Crossbar Architecture for Neuromorphic Artificial Intelligence Systems

This article presents the results of experimental studies of structures formed on the basis of the crossbar architecture of memristor structures made of various materials. TiO2 was used as a working memristor layer. The following materials were used for the contact pads: Al, Ni, Cr, Mo, Ta, Ag. In the course of experimental studies, the optimal combination of materials for the formation of crossbar memristor structures was revealed, which in the future can be used in devices of neuromorphic artificial intelligence systems.

Elucidating the optimal material combinations of organic photovoltaics for maximum industrial viability

Elucidating the optimal material combinations of organic photovoltaics for maximum industrial viability

Energy optimization for Façade retrofit design of residential buildings in hot climates using advanced materials

Global warming has adversely affected the building sector in many countries. Energy retrofit strategies for existing buildings have been developed to combat this issue, including advanced facade system coatings. This study examines how advanced coatings such as PCMs, thermochromics, and cool materials can be effectively used to enhance the thermal behavior and energy performance of existing facades in hot climates. It aims to suggest the optimal combinations of such materials for the façade retrofit design of a typical low-rise residential building in hot climates. Using optimization, Design Builder software is utilized to assess the thermal behavior and energy performance of a combination of advanced materials used. The results revealed that the arrangement of exterior wall layers, thickness and placement of thermal insulation, and the material used in the façade outer layer have a significant effect on the annual energy consumption. Applying coatings with high reflective values as an outer layer of facades can reduce monthly surface temperatures by 2.62 °C in summer and annual cooling loads by 13.78 %. Using PCM coating as an inner layer of the façade improves indoor temperatures by 1.83 °C during different seasons and decreases annual cooling demands by 13.23 %. Finally, the optimal combination of such materials for the energy retrofit design of a typical residential building with three conventional façades has been defined.

Improvement of the technology of manufacturing clothes of law enforcement agencies

Special requirements are imposed on the uniform of a serviceman due to the specific use in different conditions. Special attention is paid to the comfort of wearing, the quality of materials and construction of clothing, hygienic and tactical and technical properties. When designing thermal protective clothing, it must be borne in mind that its thermal resistance must ultimately be assessed by the cumulative insulating effect of the finished structure. This scientific article attempts an in-depth analysis of the study of the problem of choosing the best range of materials necessary for the manufacture of uniforms intended for use in law enforcement agencies. The purpose of this study is to carefully determine the optimal combination of materials that is guaranteed to ensure a high standard of quality, durability and functionality of the uniform, as well as compliance with its requirements for modern service conditions. The article analyzes various aspects that affect the choice of materials, including their strength, comfort, protective properties and aesthetic aspect. The obtained research results, in turn, are aimed at improving the process of developing and manufacturing uniforms for law enforcement agencies, which, ultimately, will lead to an increase in the level of comfort and safety for its future wearers.

Dually boosting the performance of photovoltaic module via integrating elastocaloric cooler

Photovoltaic module (PVM) only can utilize visible and ultra-violet parts of solar spectrum, constrained by the Shockley-Queisser limit. To fully use solar spectrum, in this study, solar selective absorber (SSA) and elastocaloric cooler (ECC) are gradually hybridized with PVM to form a new hybrid system for the first time. The performance metrics of PVM, ECC, and hybrid system, taking into account various irreversible effects, are mathematically derived. The hybrid system achieves approximately a 63% enhancement in both energy efficiency and power output density compared to a standalone PVM, outperforming other similar PVM-based hybrid systems. Exhaustive parametric studies show that increasing the operating temperature, solar irradiance, diode ideality factor, length ratio or section area ratio can enhance the hybrid system performance. The optimal combination of refrigerant and actuator materials are, respectively, Ni–Ti and Cu–Zn–Al alloys. Furthermore, a case study conducted to forecast practical performance under southeast China's weather conditions reveals that the hybrid system attains significant annual maximum energy efficiency and power output density, reaching 29.3% and 54.66 W m−2, respectively. The findings from this study provide valuable insights and recommendations for the optimum design and operation for such a hybrid system.

Optimization design of fiber rubber asphalt gravel sealing layer based on fatigue crack resistance test.

Crack is one of the main diseases of pavement structure. In order to improve the anti-reflective crack ability of pavement, fiber rubber gravel sealing layer is proposed as the stress absorbing layer. In view of the shortcoming that Mcleod design method can not be associated with road performance, a sealing layer optimization design method based on fatigue crack test is proposed. Firstly, the reinforcement effect of fiber on rubber asphalt was studied through force ductility testing. Secondly, the optimum dosage of fiber, asphalt and gravel was optimized through fatigue cracking resistance test. Finally, the cracking resistance of fiber rubber gravel seal was verified through fracture energy test. The results show that fibers can significantly increase the maximum tensile force and strain yield energy of rubber asphalt, and basalt fiber has the best reinforcement effect. The most obvious effect on cracking resistance performance in the sealing layer is the amount of fiber, followed by the amount of asphalt, and finally the amount of gravel. The optimized material combination with the best crack resistance is 120g/m2 fiber, 14kg/m2 gravel and 2.4kg/m2 rubber asphalt, and the fatigue resistance times can reach 19532 times. The fracture energy of the composite pavement treated by the optimized sealing layer is nearly double that of the non-treated pavement structure, and it has a good anti-crack effect.

The Effect of Junction Composition of Polarization Behaviour of Bipolar Membranes

Bipolar membranes (BPMs), i.e, laminates cationic and anionic polymer membranes, have a wide range of applications. Starting from an early application in electrodialysis systems, the application scope has more recently broaden to electrochemical energy conversion systems such as water electrolyzer and CO2 reduction reaction, fuel cells and flow batteries.1 In connection to CO2 reduction reaction, the implementation of BPM effectively mitigates CO2 crossover driven by (bi)carbonate migrations, but the rate capability is limited by the large overpotential across current state-of-the-art BPMs.2 The large overpotential primarily originates from the slow water dissociation (WD) kinetics at the interface between the cation exchange layer (CEL) and anion exchange layer (AEL), and largely depends on junction morphology. The detailed structure-properties relationships remain poorly understood, but physical properties of individual polymeric membranes and the composition and morphology of the WD catalyst are important parameters and the optimal combination of materials may be different for different systems. Furthermore, the WD performance of BPM in MEA water electrolyzer not only depends on BPM’s junction contact, but also the interface contact between electrodes and CEL/AEL.In this work, a series of BPM system featuring different compositions of membrane layers and WD catalysts are explored and characterized by polarization behaviour (J-V curve) via H-cell and MEA water electrolyzer. We attempt to link the junction composition created by different BPM systems to its WD performance and provide a systematic choice of CEL/AEL and WD catalyst in the BPM system.(1) Blommaert, M. A.; Aili, D.; Tufa, R. A.; Li, Q.; Smith, W. A.; Vermaas, D. A. Insights and Challenges for Applying Bipolar Membranes in Advanced Electrochemical Energy Systems. ACS Energy Lett. 2021, 2539–2548. https://doi.org/10.1021/acsenergylett.1c00618.(2) Garg, S.; Giron Rodriguez, C. A.; Rufford, T. E.; Varcoe, J. R.; Seger, B. How Membrane Characteristics Influence the Performance of CO 2 and CO Electrolysis. Energy Environ. Sci. 2022. https://doi.org/10.1039/D2EE01818G.

Mechanical properties of corrugated structure with negative Poisson’s ratio and its application on energy absorbing box based on parametric modeling method

A novel corrugated structure is proposed owing to its "compression-contraction" negative Poisson’s ratio characteristics. Firstly, theoretical predictions of Poisson's ratio, elastic modulus and platform stress for corrugated structure are derived. Then, finite element models of corrugated structure are established by utilizing parametric modeling approach based on secondary development of Abaqus. Moreover, quasi-static compression test of corrugated structure is executed to verify the accuracy of theoretical predictions and parametric models. Subsequently, the influences of geometric parameters and various base material combinations on mechanical properties of corrugated structure are investigated, and the optimal base material combination Al-ABS is obtained. Afterwards, impact performances of Al-ABS corrugated structure under various impact velocities and impact angles are studied, and deformation modes, stress-strain curves and specific energy absorptionSEAare acquired. In addition, the accuracy and reliability of the FEM of energy absorbing box embedded with corrugated structure is verified through energy curves and quasi-static compression test on 3D printed energy absorbing box. Finally, multi-objective optimization design on energy absorbing box embedded with Al-ABS corrugated structure is performed with design variables of θ,r1,r2,d and optimization objectives of minimum massMs, minimum peak crushing forcePCF and maximum energy absorption EA by employing NSGA III algorithm. Compared with un-optimized corrugated structure energy absorbing box, the MsandPCFof post-optimized box decrease by 1.31%, 13.98%, accordingly, and the EA and SEA of post-optimized box increase by 10.86% and 12.33%, separately.

Screening and optimization of metal-insulator-metal selective emitter in thermophotovoltaic system

In thermophotovoltaic (TPV) systems, it is crucial that the selective emitters can tailor emission spectrum to match the bandgap of photovoltaic (PV) cells and largely enhance the system efficiency. In this work, a metamaterial emitter based on the metal-insulator-metal (MIM) structure is proposed to obtain the high energy conversion efficiencies. The geometric parameters of MIM emitter have been investigated to obtain an excellent radiation spectrum of emitter composed of W and HfO2. The excellent emission performance of MIM emitter is attributed to the excitation of surface plasmon polariton (SPP) and cavity resonance, and the structure of MIM emitter is insensitive for different polarization modes. The 21 material combinations of MIM emitters have been screened to obtain the optimal emitter matching GaSb and InGaAsSb cells. This work identifies the crucial role of structure and materials into the emitter of a TPV system. In the evaluation of MIM emitter and TPV System, when the operating temperature of emitter increases from 1400[Formula: see text]K to 2000[Formula: see text]K, the system efficiency of optimal W/HfO2/W MIM emitter increases from 20.26% to 30.41%, while the output electric power increases from 3.59[Formula: see text]kW/m2 to 42.48[Formula: see text]kW/m2. The phenomenon indicates that the MIM emitter with the optimal material combinations and geometric parameters can significantly improve the matching degree with GaSb and InGaAsSb cells. Our results will be helpful to expand the optimization scope of metamaterial emitters in TPV systems.

Standardisation of fermented pellet feed of Tenebrio molitor larvae for use as a biodiesel raw material

Abstract To use mealworm (Tenebrio molitor larva) as a raw material for biodiesel production, after selecting three raw materials (wheat bran, mealworm frass, food waste) among 10 raw materials, WB50-FW50 (wheat bran:food waste = 50:50), which had the highest weight gain rate (WGR) and body fat content increase efficacy, was determined to be the optimal raw material combination. As a result of fermenting WB50-FW50 using microorganisms (Limosilactobacillus fermentum, Lactobacillus acidophilus, and Pediococcus acidilactici) with excellent enzymatic activities to increase the absorption rate in the body, WGR was increased by 40% compared to non-fermented WB50-FW50. To increase the value of the product and the convenience of distribution and use, we attempted to manufacture a pellet-type feed with a diameter of 6 mm and length of 10 mm. Based on the selection of inexpensive raw materials without adversely affecting viability and WGR, 0.05% sorbic acid was added as a preservative, and 20% agar was added as an excipient. The drying time after pellet moulding was determined to be 50 min, considering the high WGR, and the final pellet-type fermented mixed feed with sorbic acid and agar (PFMF) preparation was completed. Finally, compared to powdered wheat bran, a conventional mealworm feed, PFMF fed to mealworms increased WGR by 25.6% and body fat content by 18.8%. In conclusion, we suggest that the PFMF is a valuable feed with high economic feasibility, eco-friendliness, and convenience for breeding of mealworms for biodiesel production.

Hot wire thermopol cutting using CNC machine

Recently, the Hot Wire CNC Technology is use for the purpose of cutting of the materials like thermopol and foam for the packaging of products. This technology saves labor costs and increases production. The main objective of the research is to determine the influence of wire temperature on the quality of cuts achieved through hot wire cutting technology and explore the optimal material combination for low power consumption in wire cutting technology. The technique utilizes controlling the current regulation of the Nichrome wire, to reduce the power consumption. The Hot Wire CNC Machine is controlled by a micro controller which sends a special code called G-Code to the stepper motors and the current regulation is controlled by PWM (Pulse Width Modulation) through Power transistor. The results of the study show a sufficient reduction in power consumption when using the combination of Nickel-chromium materials.

New model to analyze the profit and cost of large commercial by considering solar energy

Environmental issues have become a global crisis since the 1990s, primarily due to energy consumption. Despite cities occupying only 2% of the world's surface, they consume between 60 and 80% of the world's energy. In recent years, there has been a global shift towards reducing the use of fossil fuels, driven by resource depletion and environmental concerns. For instance, the European Union mandates its members to construct and operate zero-energy buildings that produce more renewable energy than they consume throughout the year. This research proposes a method for long-term renewable energy management planning for three communities. Studies have shown that renewable energy has gained significant importance in various sectors. Therefore, the proposed research suggests an optimal combination of materials and active and passive air conditioning systems for a commercial complex in Tehran, using a mathematical planning model with two main objectives: reducing solar energy-related costs and consumption. The proposed model was implemented and validated based on real data and simulation in the GAMS software environment. To validate the results, the composition of building materials was determined, and the thermal performance of the commercial complex was investigated in the BCS19 software environment by calculating heat transfer coefficients and thermal power of the walls.

Comparative Study of M30 and M35 Grades of Concrete Using BIS, ACI, and DOE Methods of Mix Design.

Mix design is a critical process in concrete production that determines the optimal combination of materials to produce concrete with desired properties. In this, we will discuss three commonly used methods for mix design: the American Concrete Institute (ACI) method, the Bureau of Indian Standards (BIS), and the Design of Experiments (DOE) method. The cement, water, fine aggregate, and coarse aggregate ratios needed to produce the desired strength and workability are calculated using the commonly used ACI technique. The ACI technique uses experimental data and historical experience to arrive at an appropriate mix design. The BIS technique, which offers recommendations for the selection of materials, proportions, and testing processes to achieve the specified strength and durability of concrete, is comparable to the ACI method. The DOE technique is a statistical strategy that entails developing a design matrix and doing tests to ascertain the impact of various elements on the characteristics of concrete. This approach makes it possible to evaluate the variables that affect mix design in a more systematic and thorough manner, producing a concrete mix that is more effective and optimized. In conclusion, while the DOE method is a more challenging approach that may result in more effective and optimized mix designs, the ACI and BIS approaches are frequently utilized and offer helpful guidance for mix design. In the end, the strategy used will depend on the particular needs of the project and the resources that are available.

P‐94: Enhancement of the reliability of TFT‐LCD displays by focusing on study of RDC

In this paper, the test of residual DC voltage was carried out on the test cells with different combinations of liquid crystal (LC), polyimide alignment film (PI) and color resist flat layer (PFA). Combined with the circuit simulation results, the residual DC voltage was comprehensively analyzed, it is its characteristics of "fast accumulation" and "slow release" that lead to the decrease in the reliability of TFT‐LCD display. By analyzing the characteristic parameters of related materials, we have given the optimal combination of materials to reduce the residual DC voltage. As various application scenarios require higher and higher panel performance and their material combinations become more and more complex, the research results in this article will be of great significance for improving the reliability of TFT‐LCD displays.

Exploring the untapped potentials of oily sludge ash blended with fly ash for geopolymer binder via waste valorisation approach

Globally, large quantities of oily sludge are produced in petroleum refineries as wastes from petroleum refining processes. Petroleum refinery oily sludge (PROS) is a major by-product of the processes and a major contributor to pollution in the oil and gas industry. In this study, Response Surface Methodology (RSM) was used for optimising and modelling experimental work. Thermally treated PROS replaced fly ash (FA) at 5–20 % in geopolymer mortar mixes at a fixed combination of sodium silicate (Na2SiO3) and sodium hydroxide (NaOH). The visual observations and effects of PROS on the density and compressive strength of PROS geopolymer mortar (PGM) were studied. PGM with 10 % replacement of PROS had the maximum compressive strength of 38.17 MPa after 28 days. P-values obtained from the quadratic models developed for the synergistic effect of FA-PROS on density and compressive strength were less than 0.005. Optimisation of the synergistic effect of FA-PROS binder produced an optimal combination of both materials for maximum compressive strength and density of 2200 kg/m3 with desirability factor of 0.981. This investigation shows that replacing PROS with FA in geopolymer mortar can result in a new supply chain for greener binder materials in geopolymer mortar.

Bio-based lightweight building blocks: A review

This paper explores the development and utilization of bio-based lightweight building blocks as a sustainable solution in the construction industry. With increasing concerns about the environmental impact of traditional building materials, there is a growing need for eco-friendly alternatives. This study investigates the potential of natural and renewable materials, such as agricultural waste fibers, bamboo, or hemp, in combination with binders to create lightweight building blocks that offer both structural integrity and environmental sustainability. The research focuses on the formulation of these blocks, considering the optimal combination of bio-based materials and binders to achieve the desired properties. The performance characteristics of the bio-based lightweight building blocks, including structural strength, thermal insulation, fire resistance, and durability, are evaluated. The study also highlights the contribution of these blocks to sustainable construction practices, such as reducing carbon footprints and promoting resource efficiency. By providing an overview of the existing research in this field, the paper discusses the benefits and challenges associated with bio-based lightweight building blocks exploring economic feasibility, availability of materials, and compatibility with existing construction practices. Furthermore, the paper suggests avenues for future research, emphasizing the need for standardized testing protocols, certification systems, and a wider implementation of bio-based lightweight building blocks in the construction industry. This study sheds light on the potential of bio-based lightweight building blocks to mitigate environmental impact, improve sustainability, and drive innovation in construction practices.

A Feasibility Study to Minimize the Carbon Footprint of Cast Iron Production While Maintaining the Technical Requirements

The industrial sector is responsible for significant amounts of CO2 emissions. Although research activities have already given their attention to major industries such as steel, small sectors such as metal casting have been overlooked. Therefore, there are evident knowledge gaps regarding the environmental impact of the foundry industry and the possibilities of decarbonizing the sector. Herein, this study focuses on the CO2 emissions associated with cast iron production and introduces an interdisciplinary framework in order to study the environmental impact, technical performance and production costs. The theoretical and experimental analyses illustrate the interconnections between the environmental, technical and economic aspects of cast iron production. The results emphasize the role of the smelting process and renewable energies in decreasing the carbon footprint. In terms of the input materials, the outcomes demonstrate that increasing the steel scrap content achieves considerable reductions in the CO2 emissions. An alloy composition with a steel scrap content of 25% leads to a minimum carbon footprint of 650 kg CO2 eq./ton. However, increasing the steel scrap content further results in higher carbon footprints due to the additional materials required to maintain the alloy composition. Moreover, a higher strength and lower ductility of the alloy were recorded due to higher amounts of carbide stabilizing elements. The study highlights the importance of adopting a holistic approach in order to define the optimal material combinations. Hence, the presented interdisciplinary approach can be applied by the foundries in order to achieving the technical, economic and ecological goals of the sector.Graphical