Mechanics of Engineered Nanomaterials for Energy and Environmental Applications

A special issue of Nanomaterials (ISSN 2079-4991). This special issue belongs to the section "Energy and Catalysis".

Deadline for manuscript submissions: closed (15 July 2024) | Viewed by 10791

Special Issue Editors


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Guest Editor
Massachusetts Institute of Technology, Cambridge, MA, USA
Interests: mechanics of nanostructured or amorphous materials; nanoscale properties of biological and biomimetic materials; mechanics of nanoindentation; surfaces and thin films; mechanics of functionally graded materials; cell mechanics and human diseases; machine learning for engineering and biomedical applications

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Guest Editor
Department of Materials Science and Engineering, Stony Brook University, Stony Brook, NY, USA
Interests: mechanical properties of nanostructured materials, thin films, coatings, composite materials, biomaterials, shape-memory materials, and 3-D printed materials; advanced materials for energy infrastructure; electromechanical properties of smart materials, sensor materials; nanoindentation and contact fatigue behavior of solids and structures

Special Issue Information

Dear Colleagues,

The growth of the global economy has sustained a rapidly increasing human population and improved living standards for many people. However, the demand for more energy and consumer products has put huge pressure on the environment. There is an urgent need for environmentally friendly consumer products and clean energy. Engineered nanomaterials, with possibilities in achieving unprecedented mechanical, physical, chemical, and biomedical properties, have been increasingly used to address such a need in recent years. Due to the nanoscale structures involved, many interesting and challenging mechanics problems have emerged and called for in-depth and systematic investigations. In this Special Issue, we call upon the attention of related research communities to highlight their cutting-edge initiatives to address key materials and mechanics problems presented in engineered nanomaterials for energy and environmental applications, and equally important to propose potential new applications with the latest understanding of the nanomechanics and recent developments in nanomaterial engineering. Below are a few suggested topic areas, but additional topics related to the mechanics of engineered nanomaterials for energy and environmental applications are all welcome.

  • Nanomechanics involved in hydrogen production, storage, and transport, e.g., understanding the hydrogen embrittlement mechanisms and solid-state hydrogen storage mechanisms.
  • Nanomechanics in advanced battery technologies.
  • Engineered nanomaterials that can be used in small modular reactors (SMRs) for lower cost and higher mechanical reliability.
  • Mechanics of gradient nanostructured materials with improved fracture and fatigue properties, saving energy and costs for the production and maintenance of structural components.
  • Mechanics of natural and bioinspired nanomaterials, which have higher strength and/or toughness and are energy efficient to produce and maintain.
  • Nanomechanics involved in biodegradable materials, e.g., biodegradable and reusable paper, biodegradable flexible electronics, etc.
  • Coupled problems involving nanomechanics and other physical or chemical properties, e.g., elastic strain engineering applied to semiconductors for improved efficiency and power handling capacity.
  • … …

Prof. Dr. Ming Dao
Dr. T. A. Venkatesh
Guest Editors

Manuscript Submission Information

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Keywords

  • mechanics of engineered nanomaterials
  • mechanics of gradient nanostructured materials
  • nanomechanics in advanced battery technologies
  • mechanics of hydrogen embrittlement
  • engineered nanomaterials for small modular reactors (SMRs) nanoscale elastic strain engineering
  • nanomechanics of biodegradable materials
  • nanomechanics of bioinspired materials
  • nanomechanics of biomaterials

Published Papers (6 papers)

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Research

15 pages, 6662 KiB  
Article
Pesticide Efficiency of Environment-Friendly Transition Metal-Doped Magnetite Nanoparticles
by Shamaila Shahzadi, Jalees Ul Hassan, Muhammad Oneeb, Saira Riaz, Rehana Sharif and Dayan Ban
Nanomaterials 2024, 14(2), 218; https://doi.org/10.3390/nano14020218 - 19 Jan 2024
Cited by 1 | Viewed by 1064
Abstract
This study explored the potential of Fe3O4, SnFe2O4, and CoFe2O4 nanoparticles as larvicidal and adulticidal agents against Aedes aegypti (A. aegypti) larvae and adults, which are vectors for various diseases. [...] Read more.
This study explored the potential of Fe3O4, SnFe2O4, and CoFe2O4 nanoparticles as larvicidal and adulticidal agents against Aedes aegypti (A. aegypti) larvae and adults, which are vectors for various diseases. This research involved the synthesis of these nanoparticles using the coprecipitate method. The results indicate that CoFe2O4 nanoparticles are the most effective in both larvicidal and adulticidal activities, with complete mortality achieved after 96 h of exposure. SnFe2O4 nanoparticles also showed some larvicidal and adulticidal efficacy, although to a lesser extent than the CoFe2O4 nanoparticles. Fe3O4 nanoparticles exhibited minimal larvicidal and adulticidal effects at low concentrations but showed increased efficacy at higher concentrations. The study also revealed the superparamagnetic nature of these nanoparticles, making them potentially suitable for applications in aquatic environments, where A. aegypti larvae often thrive. Additionally, the nanoparticles induced observable damage to the gut structure of the mosquitoes and larvae, which could contribute to their mortality. Overall, this research suggests that CoFe2O4 nanoparticles, in particular, hold promise as environment-friendly and effective agents for controlling A. aegypti mosquitoes, which are responsible for the transmission of diseases such as dengue fever, Zika virus, and Chikungunya. Further studies and field trials are needed to validate their practical use in mosquito control programs. Full article
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20 pages, 2119 KiB  
Article
A Thermal, Mechanical, and Materials Framework for a Shape Memory Alloy Heat Engine for Thermal Management
by Maria Chikhareva and Raj Vaidyanathan
Nanomaterials 2023, 13(15), 2159; https://doi.org/10.3390/nano13152159 - 25 Jul 2023
Viewed by 1490
Abstract
Shape memory alloy (SMA) heat engines possess an inherent property of sensing a change in temperature, performing work, and rejecting heat through the shape memory effect resulting from a temperature-induced phase transformation. This work presents a framework for the design and implementation of [...] Read more.
Shape memory alloy (SMA) heat engines possess an inherent property of sensing a change in temperature, performing work, and rejecting heat through the shape memory effect resulting from a temperature-induced phase transformation. This work presents a framework for the design and implementation of an SMA-based Stirling heat engine for maximum torque or speed incorporating and combining mechanical, thermal, and material aspects. There is a growing need for such engines for reliable thermal management and energy recovery in both ground and space applications. Mechanical aspects were addressed from force balances in the SMA element and focused on the resulting stress distribution. Thermal aspects considered heat transfer between the SMA element and both the heat source and the heat sink. Materials aspects considered the chemical, elastic, and frictional contributions to the enthalpy of the transformation. The roles of nano- and microstructure through composition, precipitates, variant interfaces, training, cycling, texture, defects, nucleation sites (bulk vs. surface), and multi-step transformations (e.g., a trigonal R-phase transformation) in NiTi based-alloys are also emphasized. The aforementioned aspects were combined to present a figure of merit to aid in the design and implementation of a Nitinol Stirling heat engine operating to maximize torque or maximize speed. Full article
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17 pages, 18240 KiB  
Article
Modeling Fretting Wear Resistance and Shakedown of Metallic Materials with Graded Nanostructured Surfaces
by Ting Yang, T. A. Venkatesh and Ming Dao
Nanomaterials 2023, 13(10), 1584; https://doi.org/10.3390/nano13101584 - 9 May 2023
Cited by 2 | Viewed by 1275
Abstract
In applications involving fretting wear damage, surfaces with high yield strength and wear resistance are required. In this study, the mechanical responses of materials with graded nanostructured surfaces during fretting sliding are investigated and compared to homogeneous materials through a systematic computational study. [...] Read more.
In applications involving fretting wear damage, surfaces with high yield strength and wear resistance are required. In this study, the mechanical responses of materials with graded nanostructured surfaces during fretting sliding are investigated and compared to homogeneous materials through a systematic computational study. A three-dimensional finite element model is developed to characterize the fretting sliding characteristics and shakedown behavior with varying degrees of contact friction and gradient layer thicknesses. Results obtained using a representative model material (i.e., 304 stainless steel) demonstrate that metallic materials with a graded nanostructured surface could exhibit a more than 80% reduction in plastically deformed surface areas and volumes, resulting in superior fretting damage resistance in comparison to homogeneous coarse-grained metals. In particular, a graded nanostructured material can exhibit elastic or plastic shakedown, depending on the contact friction coefficient. Optimal fretting resistance can be achieved for the graded nanostructured material by decreasing the friction coefficient (e.g., from 0.6 to 0.4 in 304 stainless steel), resulting in an elastic shakedown behavior, where the plastically deformed volume and area exhibit zero increment in the accumulated plastic strain during further sliding. These findings in the graded nanostructured materials using 304 stainless steel as a model system can be further tailored for engineering optimal fretting damage resistance. Full article
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11 pages, 5428 KiB  
Article
In Situ Study of Twin Boundary Stability in Nanotwinned Copper Pillars under Different Strain Rates
by Shou-Yi Chang, Yi-Chung Huang, Shao-Yi Lin, Chia-Ling Lu, Chih Chen and Ming Dao
Nanomaterials 2023, 13(1), 190; https://doi.org/10.3390/nano13010190 - 1 Jan 2023
Cited by 3 | Viewed by 1882
Abstract
The nanoscopic deformation of ⟨111⟩ nanotwinned copper nanopillars under strain rates between 10−5/s and 5 × 10−4/s was studied by using in situ transmission electron microscopy. The correlation among dislocation activity, twin boundary instability due to incoherent twin boundary [...] Read more.
The nanoscopic deformation of ⟨111⟩ nanotwinned copper nanopillars under strain rates between 10−5/s and 5 × 10−4/s was studied by using in situ transmission electron microscopy. The correlation among dislocation activity, twin boundary instability due to incoherent twin boundary migration and corresponding mechanical responses was investigated. Dislocations piled up in the nanotwinned copper, giving rise to significant hardening at relatively high strain rates of 3–5 × 10−4/s. Lower strain rates resulted in detwinning and reduced hardening, while corresponding deformation mechanisms are proposed based on experimental results. At low/ultralow strain rates below 6 × 10−5/s, dislocation activity almost ceased operating, but the migration of twin boundaries via the 1/4 ⟨101¯ ⟩ kink-like motion of atoms is suggested as the detwinning mechanism. At medium strain rates of 1–2 × 10−4/s, detwinning was decelerated likely due to the interfered kink-like motion of atoms by activated partial dislocations, while dislocation climb may alternatively dominate detwinning. These results indicate that, even for the same nanoscale twin boundary spacing, different nanomechanical deformation mechanisms can operate at different strain rates. Full article
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18 pages, 9003 KiB  
Article
On the Evolution of Nano-Structures at the Al–Cu Interface and the Influence of Annealing Temperature on the Interfacial Strength
by Xiaoli Wang, Guang Cheng, Yang Zhang, Yuxin Wang, Wenjun Liao and T. A. Venkatesh
Nanomaterials 2022, 12(20), 3658; https://doi.org/10.3390/nano12203658 - 18 Oct 2022
Cited by 2 | Viewed by 1458
Abstract
Molecular dynamics (MD) simulations are invoked to simulate the diffusion process and microstructural evolution at the solid–liquid, cast-rolled Al–Cu interfaces. K-Means clustering algorithm is used to identify the formation and composition of two types of nanostructural features in the Al-rich and Cu-rich regions [...] Read more.
Molecular dynamics (MD) simulations are invoked to simulate the diffusion process and microstructural evolution at the solid–liquid, cast-rolled Al–Cu interfaces. K-Means clustering algorithm is used to identify the formation and composition of two types of nanostructural features in the Al-rich and Cu-rich regions of the interface (i.e., the intermetallic Al2Cu near the Al-rich interface and the intermetallic Al4Cu9 near the Cu-rich interface). MD simulations are also used to assess the effects of annealing temperature on the evolution of the compositionally graded microstructural features at the Al–Cu interfaces and to characterize the mechanical strength of the Al–Cu interfaces. It is found that the failure of the Al–Cu interface takes place at the Al-rich side of the interface (Al2Cu–Al) which is mechanically weaker than the Cu-rich side of the interface (Cu–Al4Cu9), which is also verified by the nanoindentation studies of the interfaces. Centrosymmetry parameter analyses and dislocation analyses are used to understand the microstructural features that influence deformation behavior leading to the failure of the Al–Cu interfaces. Increasing the annealing temperature reduces the stacking fault density at the Al–Cu interface, suppresses the generation of nanovoids which are precursors for the initiation of fracture at the Al-rich interface, and increases the strength of the interface. Full article
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17 pages, 4267 KiB  
Article
Evolution of Thin-Film Wrinkle Patterns on a Soft Substrate: Direct Simulations and the Effects of the Deformation History
by Siavash Nikravesh and Yu-Lin Shen
Nanomaterials 2022, 12(19), 3505; https://doi.org/10.3390/nano12193505 - 7 Oct 2022
Cited by 3 | Viewed by 2187
Abstract
Surface wrinkling instability in thin films attached to a compliant substrate is a well-recognized form of deformation under mechanical loading. The influence of the loading history on the formation of instability patterns has not been studied. In this work, the effects of the [...] Read more.
Surface wrinkling instability in thin films attached to a compliant substrate is a well-recognized form of deformation under mechanical loading. The influence of the loading history on the formation of instability patterns has not been studied. In this work, the effects of the deformation history involving different loading sequences were investigated via comprehensive large-scale finite element simulations. We employed a recently developed embedded imperfection technique which is capable of direct numerical predictions of the surface instability patterns and eliminates the need for re-defining the imperfection after each analysis step. Attention was devoted to both uniaxial compression and biaxial compression. We show that, after the formation of wrinkles, the surface patterns could still be eliminated upon complete unloading of the elastic film–substrate structure. The loading path, however, played an important role in the temporal development of wrinkle configurations. With the same final biaxial state, different deformation histories could lead to different surface patterns. The finding brings about possibilities for creating variants of wrinkle morphologies controlled by the actual deformation path. This study also offers a mechanistic rationale for prior experimental observations. Full article
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