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Article: XGB Modeling Reveals Improvement of Compressive Strength of Cement-Based Composites with Addition of HPMC and Chitosan.

Ege, Duygu / Kamali, Ali Reza

2024 Volume 17, Issue 2

Abstract: This study investigates the improvement in the compressive strength of cellulose/cement-based composites. Methyl cellulose (MC), carboxymethyl cellulose (CMC), and hydroxypropyl cellulose (HPMC) are separately used as the cellulose phase with different ... ...

Abstract	This study investigates the improvement in the compressive strength of cellulose/cement-based composites. Methyl cellulose (MC), carboxymethyl cellulose (CMC), and hydroxypropyl cellulose (HPMC) are separately used as the cellulose phase with different wt%. Graphene oxide (GO) and zoledronic acid (ZOL) are used as additives for bone regeneration for various formulations. Utilizing Extreme Gradient Boosting (XGB) modeling, this research demonstrates the roles of the choice of the cellulose phase, wt% of cement phase, % gelatin, % citric acid, degradation time, and concentration of GO and ZOL in influencing compressive strength. The XGB regression model, with an R
Language	English
Publishing date	2024-01-11
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2487261-1
ISSN	1996-1944
ISSN	1996-1944
DOI	10.3390/ma17020374
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Carbonization of Corn Leaf Waste for Na-Ion Storage Application Using Water-Soluble Carboxymethyl Cellulose Binder.

Li, Ruiping / Kamali, Ali Reza

Gels (Basel, Switzerland)

2023 Volume 9, Issue 9

Abstract: Hard carbon materials are considered to be the most practical anode materials for sodium ion batteries because of the rich availability of their resources and potentially low cost. Here, the conversion of corn leaf biomass, a largely available ... ...

Abstract	Hard carbon materials are considered to be the most practical anode materials for sodium ion batteries because of the rich availability of their resources and potentially low cost. Here, the conversion of corn leaf biomass, a largely available agricultural waste, into carbonaceous materials for Na-ion storage application is reported. Thermal analysis investigation determines the presence of exothermic events occurring during the thermal treatment of the biomass. Accordingly, various temperatures of 400, 500, and 600 °C are selected to perform carbonization treatment trials, leading to the formation of various biocarbons. The materials obtained are characterized by a combination of methods, including X-ray diffraction, electron microscopy, surface evaluation, Raman spectroscopy, and electrochemical characterizations. The Na-ion storage performances of these materials are investigated using water-soluble carboxymethyl cellulose binder, highlighting the influence of the carbonization temperature on the electrochemical performance of biocarbons. Moreover, the influence of post-mechanochemical treatment on the Na-ion storage performance of biocarbons is studied through kinetic evaluations. It is confirmed that reducing the particle sizes and increasing the carbon purity of biocarbons and the formation of gel polymeric networks would improve the Na-ion storage capacity, as well as the pseudocapacitive contribution to the total current. At a high-current density of 500 mA g
Language	English
Publishing date	2023-08-30
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2813982-3
ISSN	2310-2861 ; 2310-2861
ISSN (online)	2310-2861
ISSN	2310-2861
DOI	10.3390/gels9090701
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Green conversion of waste PET into magnetic Ni

Wei, Shuhui / Kamali, Ali Reza

Chemosphere

2023 Volume 342, Page(s) 140172

Abstract: A nanostructured core-shell composite ( ... ...

Abstract	A nanostructured core-shell composite (Ni
MeSH term(s)	Carbon ; Coloring Agents/chemistry ; Adsorption ; Water Pollutants, Chemical/analysis ; Thermodynamics ; Water ; Nanocomposites/chemistry ; Magnetic Phenomena ; Positron-Emission Tomography ; Hydrogen-Ion Concentration ; Kinetics
Chemical Substances	Carbon (7440-44-0) ; Coloring Agents ; Water Pollutants, Chemical ; Water (059QF0KO0R)
Language	English
Publishing date	2023-09-13
Publishing country	England
Document type	Journal Article
ZDB-ID	120089-6
ISSN	1879-1298 ; 0045-6535 ; 0366-7111
ISSN (online)	1879-1298
ISSN	0045-6535 ; 0366-7111
DOI	10.1016/j.chemosphere.2023.140172
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Article ; Online: Physics-informed UNets for discovering hidden elasticity in heterogeneous materials.

Kamali, Ali / Laksari, Kaveh

Journal of the mechanical behavior of biomedical materials

2023 Volume 150, Page(s) 106228

Abstract: Soft biological tissues often have complex mechanical properties due to variation in structural components. In this paper, we develop a novel UNet-based neural network model for inversion in elasticity (El-UNet) to infer the spatial distributions of ... ...

Abstract	Soft biological tissues often have complex mechanical properties due to variation in structural components. In this paper, we develop a novel UNet-based neural network model for inversion in elasticity (El-UNet) to infer the spatial distributions of mechanical parameters from strain maps as input images, normal stress boundary conditions, and domain physics information. We show superior performance - both in terms of accuracy and computational cost - by El-UNet compared to fully-connected physics-informed neural networks in estimating unknown parameters and stress distributions for isotropic linear elasticity. We characterize different variations of El-UNet and propose a self-adaptive spatial loss weighting approach. To validate our inversion models, we performed various finite-element simulations of isotropic domains with heterogenous distributions of material parameters to generate synthetic data. El-UNet is faster and more accurate than the fully-connected physics-informed implementation in resolving the distribution of unknown fields. Among the tested models, the self-adaptive spatially weighted models had the most accurate reconstructions in equal computation times. The learned spatial weighting distribution visibly corresponded to regions that the unweighted models were resolving inaccurately. Our work demonstrates a computationally efficient inversion algorithm for elasticity imaging using convolutional neural networks and presents a potential fast framework for three-dimensional inverse elasticity problems that have proven unachievable through previously proposed methods.
MeSH term(s)	Finite Element Analysis ; Elasticity ; Neural Networks, Computer ; Algorithms ; Elasticity Imaging Techniques/methods
Language	English
Publishing date	2023-11-10
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	2378381-3
ISSN	1878-0180 ; 1751-6161
ISSN (online)	1878-0180
ISSN	1751-6161
DOI	10.1016/j.jmbbm.2023.106228
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Molten salt-assisted valorization of waste PET plastics into nanostructured SnO2@terephthalic acid with excellent Li-ion storage performance

Kamali, Ali Reza / Li, Siyuan

Applied Energy. 2023 Mar., v. 334 p.120692-

2023

Abstract: Polyethylene terephthalate (PET) is one of the most widely used plastic materials, and therefore, its clean, efficient and low-cost valorization into high-value materials is of substantial economic and environmental interest. Here, for the first time, ... ...

Abstract	Polyethylene terephthalate (PET) is one of the most widely used plastic materials, and therefore, its clean, efficient and low-cost valorization into high-value materials is of substantial economic and environmental interest. Here, for the first time, the utilization of molten salts for the facile, scalable and fast depolymerization of PET into terephthalic acid (C₈H₆O₄) is reported. It is asserted that the simple heat-treatment of PET in molten KCl-LiCl containing SnCl₂ in air leads to the green preparation of nanocrystalline terephthalic acid embedded with SnO₂ nanocrystals, with an excellent performance as the anode of lithium ion batteries (LIBs). The structural, morphological, thermal, surface, electrical and electrochemical characteristics of plastic-derived nanocomposites are evaluated by various techniques. The sample prepared at 500 °C (PDN-500) contains 28.3 wt% SnO₂, and exhibits an enhanced bulk electrical conductivity of 447.3 S m⁻¹, and an excellent Li-ion storage capacity of 498 mAh g⁻¹ after 500 cycles, corresponding to 1657 mAh per gram of SnO₂. This performance is accompanied by an enhanced lithium ions diffusion coefficient of 8.51 × 10⁻¹⁰ cm² s⁻¹ recorded after 300 cycles, and a capacitive storage contribution of above 42 %. The sustainability of the presented molten salt approach is discussed from two complementary points of view, in terms of the clean conversion of waste plastics into high-performance anode materials for LIBs, as well as the facile and scalable depolymerization of PET, reducing the waste plastics in our environment. This article proposes an efficient and green strategy for the valorization of waste plastics into nanostructured SnO₂@terephthalic acid for energy storage applications.
Keywords	air ; anodes ; depolymerization ; diffusivity ; electrical conductivity ; electrochemistry ; energy ; heat treatment ; lithium ; nanocomposites ; nanocrystals ; polyethylene terephthalates ; PET ; Molten salt ; SnO2 ; Li ion battery ; Waste valorization
Language	English
Dates of publication	2023-03
Publishing place	Elsevier Ltd
Document type	Article ; Online
ZDB-ID	2000772-3
ISSN	0306-2619
ISSN	0306-2619
DOI	10.1016/j.apenergy.2023.120692
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Clean production and utilisation of hydrogen in molten salts.

Kamali, Ali Reza

RSC advances

2020 Volume 10, Issue 59, Page(s) 36020–36030

Abstract: Green and low cost production of strategic materials such as steel and graphene at large scale is a critical step towards sustainable industrial developments. Hydrogen is a green fuel for the future, and a key element for the clean production of steel. ... ...

Abstract	Green and low cost production of strategic materials such as steel and graphene at large scale is a critical step towards sustainable industrial developments. Hydrogen is a green fuel for the future, and a key element for the clean production of steel. However, the sustainable and economic production of hydrogen is a barrier towards its large scale utilisation in iron and steelmaking, and other possible applications. As a key challenge, the water electrolysis, which is commonly used for the carbon-free production of hydrogen, is uneconomic and involves various problems including the corrosion of equipment, the use of expensive catalysts and high over-potentials, limiting its viability. Moreover, the hydrogen transportation from the electrolyser to the utilisation unit is problematic in terms of cost and safety. From a thermodynamic point of view, the potential and efficiency of the water splitting process can greatly be improved at high temperatures. Therefore, a practical approach to resolve the above-mentioned shortcomings can be based on the electro-generation of hydrogen in high temperature molten salts, and the utilisation of the generated hydrogen
Language	English
Publishing date	2020-10-01
Publishing country	England
Document type	Journal Article ; Review
ISSN	2046-2069
ISSN (online)	2046-2069
DOI	10.1039/d0ra06575g
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Molten Salt-Assisted Catalytic Preparation of MoS 2 /α-MoO 3 /Graphene as High-Performance Anode of Li-Ion Battery

Wenhui Zhu / Ali Reza Kamali

Catalysts, Vol 13, Iss 499, p

2023 Volume 499

Abstract: We report on the facile and scalable catalytic conversion of natural graphite and MoS 2 minerals into α-MoO 3 nanoribbons incorporated into hexagonal MoS 2 and graphene nanosheets, and evaluate the structural, morphological and electrochemical ... ...

Abstract	We report on the facile and scalable catalytic conversion of natural graphite and MoS 2 minerals into α-MoO 3 nanoribbons incorporated into hexagonal MoS 2 and graphene nanosheets, and evaluate the structural, morphological and electrochemical performances of the hybrid nanostructured material obtained. Mechanochemical treatment of raw materials, followed by catalytic molten salt treatment leads to the formation of nanostructures with promising electrochemical performances. We examined the effect of processing temperature on the electrochemical performance of the products. At 1100 °C, an excellent Li-ion storage capacity of 773.5 mAh g −1 is obtained after 180 cycles, considerably greater than that of MoS 2 (176.8 mAh g −1 ). The enhanced capacity and the rate performance of this electrode are attributed to the well-integrated components, characterized by the formation of interfacial molybdenum oxycarbide layer during the synthesis process, contributing to the reduced electrical/electrochemical resistance of the sample. This unique morphology promotes the charge and ions transfer through the reduction of the Li-ion diffusion coefficient (1.2 × 10 −18 cm 2 s −1 ), enhancing the pseudocapacitive performance of the electrode; 59.3% at the scan rate of 0.5 mV s −1 . This article provides a green and low-cost route to convert highly available natural graphite and MoS 2 minerals into nanostructured hybrid materials with promising Li-ion storage performance.
Keywords	natural graphite ; MoS 2 ; molten NaCl ; graphene ; MoO 3 ; molybdenum oxycarbide ; Chemical technology ; TP1-1185 ; Chemistry ; QD1-999
Subject code	333
Language	English
Publishing date	2023-02-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Carbonization of Corn Leaf Waste for Na-Ion Storage Application Using Water-Soluble Carboxymethyl Cellulose Binder

Ruiping Li / Ali Reza Kamali

Gels, Vol 9, Iss 701, p

2023 Volume 701

Abstract	Hard carbon materials are considered to be the most practical anode materials for sodium ion batteries because of the rich availability of their resources and potentially low cost. Here, the conversion of corn leaf biomass, a largely available agricultural waste, into carbonaceous materials for Na-ion storage application is reported. Thermal analysis investigation determines the presence of exothermic events occurring during the thermal treatment of the biomass. Accordingly, various temperatures of 400, 500, and 600 °C are selected to perform carbonization treatment trials, leading to the formation of various biocarbons. The materials obtained are characterized by a combination of methods, including X-ray diffraction, electron microscopy, surface evaluation, Raman spectroscopy, and electrochemical characterizations. The Na-ion storage performances of these materials are investigated using water-soluble carboxymethyl cellulose binder, highlighting the influence of the carbonization temperature on the electrochemical performance of biocarbons. Moreover, the influence of post-mechanochemical treatment on the Na-ion storage performance of biocarbons is studied through kinetic evaluations. It is confirmed that reducing the particle sizes and increasing the carbon purity of biocarbons and the formation of gel polymeric networks would improve the Na-ion storage capacity, as well as the pseudocapacitive contribution to the total current. At a high-current density of 500 mA g −1 , a specific Na-ion storage capacity of 134 mAh g −1 is recorded on the biocarbon prepared at 600 °C, followed by ball-milling and washing treatment, exhibiting a reduced charge transfer resistance of 49 Ω and an improved Na-ion diffusion coefficient of 4.8 × 10 −19 cm 2 s −1 . This article proposes a simple and effective technique for the preparation of low-cost biocarbons to be used as the anode of Na-ion batteries.
Keywords	corn ; biomass ; carbonization ; Na-ion battery ; anode ; Science ; Q ; Chemistry ; QD1-999 ; Inorganic chemistry ; QD146-197 ; General. Including alchemy ; QD1-65
Subject code	333
Language	English
Publishing date	2023-08-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Transforming Nature's Bath Sponge into Stacking Faults-Enhanced Ag Nanorings-Decorated Catalyst for Hydrogen Evolution Reaction.

Ratwani, Chirag R / Karunarathne, Shadeepa / Kamali, Ali Reza / Abdelkader, Amr M

ACS applied materials & interfaces

2024 Volume 16, Issue 5, Page(s) 5847–5856

Abstract: The rational design of cost-effective and efficient electrocatalysts for electrochemical water splitting is essential for green hydrogen production. Utilizing nanocatalysts with abundant active sites, high surface area, and deliberate stacking faults is ... ...

Abstract	The rational design of cost-effective and efficient electrocatalysts for electrochemical water splitting is essential for green hydrogen production. Utilizing nanocatalysts with abundant active sites, high surface area, and deliberate stacking faults is a promising approach for enhancing catalytic efficiency. In this study, we report a simple strategy to synthesize a highly efficient electrocatalyst for the hydrogen evolution reaction (HER) using carbonized luffa cylindrica as a conductive N-doped carbon skeleton decorated with Ag nanorings that are activated by introducing stacking faults. The introduction of stacking faults and the resulting tensile strain into the Ag nanorings results in a significant decrease in the HER overpotential, enabling the use of Ag as an efficient HER electrocatalyst. Our findings demonstrate that manipulating the crystal properties of electrocatalysts, even for materials with intrinsically poor catalytic activity such as Ag, can result in highly efficient catalysts. Further, applying a conductive carbon backbone can lower the quantities of metal needed without compromising the HER activity. This approach opens up new avenues for designing high-performance electrocatalysts with very low metallic content, which could significantly impact the development of sustainable and cost-effective electrochemical water-splitting systems.
Language	English
Publishing date	2024-01-29
Publishing country	United States
Document type	Journal Article
ISSN	1944-8252
ISSN (online)	1944-8252
DOI	10.1021/acsami.3c16115
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Book ; Online: Physics-informed UNets for Discovering Hidden Elasticity in Heterogeneous Materials

Kamali, Ali / Laksari, Kaveh

2023

Abstract	Soft biological tissues often have complex mechanical properties due to variation in structural components. In this paper, we develop a novel UNet-based neural network model for inversion in elasticity (El-UNet) to infer the spatial distributions of mechanical parameters from strain maps as input images, normal stress boundary conditions, and domain physics information. We show superior performance, both in terms of accuracy and computational cost, by El-UNet compared to fully-connected physics-informed neural networks in estimating unknown parameters and stress distributions for isotropic linear elasticity. We characterize different variations of El-UNet and propose a self-adaptive spatial loss weighting approach. To validate our inversion models, we performed various finite-element simulations of isotropic domains with heterogenous distributions of material parameters to generate synthetic data. El-UNet is faster and more accurate than the fully-connected physics-informed implementation in resolving the distribution of unknown fields. Among the tested models, the self-adaptive spatially weighted models had the most accurate reconstructions in equal computation times. The learned spatial weighting distribution visibly corresponded to regions that the unweighted models were resolving inaccurately. Our work demonstrates a computationally efficient inversion algorithm for elasticity imaging using convolutional neural networks and presents a potential fast framework for three-dimensional inverse elasticity problems that have proven unachievable through previously proposed methods. Comment: 25 pages, 9 figures
Keywords	Computer Science - Machine Learning ; Condensed Matter - Soft Condensed Matter
Subject code	006
Publishing date	2023-06-01
Publishing country	us
Document type	Book ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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