Pub Date : 2015-12-31DOI: 10.1504/IJECB.2015.073948
Ana Cadena-Nogales, A. Martiz, M. Méndez
A biosurfactant, n-hexadecyl-1-beta-D-maltopyranoside (HMP), and a broadly used cationic surfactant, hexadecyltrimethylammonium (HDTMA), were used as montmorillonite clay modifiers for an in silico study to explore the most stable adsorption sites for the trapping of chromate (CrO4−2) contaminant. Monte Carlo searches have been used to find low energy configurations of substrate with the adsorbate to identify the possible adsorption sites. There was found that the CrO4 proximity of the polar head of the HDTMA surfactant and at less than 3 A from the Ca2+ ions. In the case of HMP the CrO4−2 ion was mostly located far away from its polar head but located in all cases at less than 3 A from the Ca2+ ions. In summary, we have found that configurations that showed best adsorption results corresponded to the systems where the contaminant was closer to the polar head of the HDTMA surfactant.
采用生物表面活性剂n-十六烷基-1- β - d -麦芽吡喃苷(HMP)和广泛使用的阳离子表面活性剂十六烷基三甲基铵(HDTMA)作为蒙脱土改性剂，在硅中研究了捕获铬酸盐(CrO4−2)污染物的最稳定吸附位点。蒙特卡罗搜索已被用于寻找底物与吸附物的低能构型，以确定可能的吸附位点。研究发现，HDTMA表面活性剂的极性头与CrO4接近，且与Ca2+离子的距离小于3 A。在HMP的情况下，CrO4−2离子大多位于远离其极头的位置，但在所有情况下都位于距离Ca2+离子小于3a的位置。综上所述，我们发现表现出最佳吸附效果的构型对应于污染物更接近HDTMA表面活性剂极性头的体系。
{"title":"Monte Carlo adsorption affinity studio of modified nano-montmorillonite for the removal of chromate ions","authors":"Ana Cadena-Nogales, A. Martiz, M. Méndez","doi":"10.1504/IJECB.2015.073948","DOIUrl":"https://doi.org/10.1504/IJECB.2015.073948","url":null,"abstract":"A biosurfactant, n-hexadecyl-1-beta-D-maltopyranoside (HMP), and a broadly used cationic surfactant, hexadecyltrimethylammonium (HDTMA), were used as montmorillonite clay modifiers for an in silico study to explore the most stable adsorption sites for the trapping of chromate (CrO4−2) contaminant. Monte Carlo searches have been used to find low energy configurations of substrate with the adsorbate to identify the possible adsorption sites. There was found that the CrO4 proximity of the polar head of the HDTMA surfactant and at less than 3 A from the Ca2+ ions. In the case of HMP the CrO4−2 ion was mostly located far away from its polar head but located in all cases at less than 3 A from the Ca2+ ions. In summary, we have found that configurations that showed best adsorption results corresponded to the systems where the contaminant was closer to the polar head of the HDTMA surfactant.","PeriodicalId":90184,"journal":{"name":"International journal of experimental and computational biomechanics","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2015-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1504/IJECB.2015.073948","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66745350","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-12-31DOI: 10.1504/ijecb.2015.073926
M. Sullivan, Yan Chen, B. Prorok
Abalone shells have been studied extensively because of their unique nacre structure. Colloquially known as mother-of-pearl, this material is surprisingly strong because of a biomineralised composite structure. There is a separate component of the structure that has not been well-addressed, termed as a mesolayer. These are found in wild abalones, and not typically in abalones from a farm-raised environment. Growth of the abalone shells was controlled in the laboratory setting in order to induce a change in structure with temperature fluctuations. The main goal was to induce a mesolayer with a temperature decrease, with the aim of replicating the shell architecture found in wild abalones. These findings will help shape new material architectures for protective applications.
{"title":"New strengthening mechanisms of nacre in the abalone shell","authors":"M. Sullivan, Yan Chen, B. Prorok","doi":"10.1504/ijecb.2015.073926","DOIUrl":"https://doi.org/10.1504/ijecb.2015.073926","url":null,"abstract":"Abalone shells have been studied extensively because of their unique nacre structure. Colloquially known as mother-of-pearl, this material is surprisingly strong because of a biomineralised composite structure. There is a separate component of the structure that has not been well-addressed, termed as a mesolayer. These are found in wild abalones, and not typically in abalones from a farm-raised environment. Growth of the abalone shells was controlled in the laboratory setting in order to induce a change in structure with temperature fluctuations. The main goal was to induce a mesolayer with a temperature decrease, with the aim of replicating the shell architecture found in wild abalones. These findings will help shape new material architectures for protective applications.","PeriodicalId":90184,"journal":{"name":"International journal of experimental and computational biomechanics","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2015-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1504/ijecb.2015.073926","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66745781","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-12-31DOI: 10.1504/ijecb.2015.073928
Jairo Diaz, J. Braun, R. Moon, J. Youngblood
Simultaneous control over optical and thermal properties is particularly challenging and highly desired in fields like organic electronics. Here we incorporated cellulose nanocrystals (CNCs) into polyethylene oxide (PEO) in an attempt to preserve the iridescent CNC optical reflection given by their chiral nematic organisation, while reducing the composite thermal expansion. The hydrophilic nature and long-range self-organisation of CNCs facilitated structural control in the PEO matrix. The coefficient of thermal expansion (CTE) was determined by using contrast-enhanced microscopy digital image correlation (CEMDIC) based on textural features revealed within CNC/PEO composites under polarised light. The attained composite films were iridescent and exhibited a significant reduction in CTE even with low CNC addition (∼50% CTE reduction at ∼10 wt.% CNC load). With further control over nanoparticle processing, such composites promise potentials for selective optical bandgap materials while tuning the CTE.
{"title":"Iridescent cellulose nanocrystal/polyethylene oxide composite films with low coefficient of thermal expansion","authors":"Jairo Diaz, J. Braun, R. Moon, J. Youngblood","doi":"10.1504/ijecb.2015.073928","DOIUrl":"https://doi.org/10.1504/ijecb.2015.073928","url":null,"abstract":"Simultaneous control over optical and thermal properties is particularly challenging and highly desired in fields like organic electronics. Here we incorporated cellulose nanocrystals (CNCs) into polyethylene oxide (PEO) in an attempt to preserve the iridescent CNC optical reflection given by their chiral nematic organisation, while reducing the composite thermal expansion. The hydrophilic nature and long-range self-organisation of CNCs facilitated structural control in the PEO matrix. The coefficient of thermal expansion (CTE) was determined by using contrast-enhanced microscopy digital image correlation (CEMDIC) based on textural features revealed within CNC/PEO composites under polarised light. The attained composite films were iridescent and exhibited a significant reduction in CTE even with low CNC addition (∼50% CTE reduction at ∼10 wt.% CNC load). With further control over nanoparticle processing, such composites promise potentials for selective optical bandgap materials while tuning the CTE.","PeriodicalId":90184,"journal":{"name":"International journal of experimental and computational biomechanics","volume":"3 1","pages":"189-199"},"PeriodicalIF":0.0,"publicationDate":"2015-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1504/ijecb.2015.073928","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66745325","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-12-31DOI: 10.1504/ijecb.2015.073925
L. Gibbons, Madeline Smith, R. Quirino
Lignin is a naturally occurring polymer that is present in all vascular plants. It binds together the cell walls, thus being one of the main structural components of vegetable tissue. In this project, alkali and dealkali lignins have been chemically modified in order to incorporate reactive fragments for subsequent free radical co-polymerisation with n-butyl methacrylate, styrene, or divinylbenzene (DVB). The thermal properties of regular and modified lignins were assessed and compared. The cross-linking of modified lignins with DVB yields materials with properties suitable for applications as a pellet binder, as well as a bio-based resin for the preparation of biocomposites. The chemical modification of alkali and dealkali lignin has been verified by Raman and infrared spectroscopies. The thermo-mechanical properties of the final materials prepared have been assessed by means of thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and dynamic mechanical analysis (DMA), and are reported and discussed in this work.
{"title":"Modified lignin for composite and pellet binder applications","authors":"L. Gibbons, Madeline Smith, R. Quirino","doi":"10.1504/ijecb.2015.073925","DOIUrl":"https://doi.org/10.1504/ijecb.2015.073925","url":null,"abstract":"Lignin is a naturally occurring polymer that is present in all vascular plants. It binds together the cell walls, thus being one of the main structural components of vegetable tissue. In this project, alkali and dealkali lignins have been chemically modified in order to incorporate reactive fragments for subsequent free radical co-polymerisation with n-butyl methacrylate, styrene, or divinylbenzene (DVB). The thermal properties of regular and modified lignins were assessed and compared. The cross-linking of modified lignins with DVB yields materials with properties suitable for applications as a pellet binder, as well as a bio-based resin for the preparation of biocomposites. The chemical modification of alkali and dealkali lignin has been verified by Raman and infrared spectroscopies. The thermo-mechanical properties of the final materials prepared have been assessed by means of thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and dynamic mechanical analysis (DMA), and are reported and discussed in this work.","PeriodicalId":90184,"journal":{"name":"International journal of experimental and computational biomechanics","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2015-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1504/ijecb.2015.073925","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66745771","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-07-09DOI: 10.1504/ijecb.2015.070431
C. O. Abbasi, T. Khraishi, Amorette Maestas, B. Baack
Displacement of surgical drains from their intended attachment location can lead, in some cases, to a secondary operation in order to avoid recovery complications. Displacements are usually due to the loosening of a drain's anchoring. The common practice of drain anchoring involves the Roman Sandal technique. This manuscript compares the mechanical behaviour of this conventional drain suturing technique to the modified Roman Sandal technique developed herein. Identical mechanical cyclic tests mimicking breathing action were conducted on both suturing techniques to determine which is more reliable. The obtained results revealed that the modified Roman Sandal technique is a much more reliable when compared to the Roman Sandal technique.
{"title":"Modified Roman Sandal: a more effective and reliable surgical drain anchoring technique","authors":"C. O. Abbasi, T. Khraishi, Amorette Maestas, B. Baack","doi":"10.1504/ijecb.2015.070431","DOIUrl":"https://doi.org/10.1504/ijecb.2015.070431","url":null,"abstract":"Displacement of surgical drains from their intended attachment location can lead, in some cases, to a secondary operation in order to avoid recovery complications. Displacements are usually due to the loosening of a drain's anchoring. The common practice of drain anchoring involves the Roman Sandal technique. This manuscript compares the mechanical behaviour of this conventional drain suturing technique to the modified Roman Sandal technique developed herein. Identical mechanical cyclic tests mimicking breathing action were conducted on both suturing techniques to determine which is more reliable. The obtained results revealed that the modified Roman Sandal technique is a much more reliable when compared to the Roman Sandal technique.","PeriodicalId":90184,"journal":{"name":"International journal of experimental and computational biomechanics","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2015-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1504/ijecb.2015.070431","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66745705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-07-09DOI: 10.1504/IJECB.2015.070420
A. Azaman, Shin-ichiroh Yamamoto
Joint stiffness causes posture movement restriction. However, how joint stiffness responds towards imbalance still remain unclear. The objective was to observe the relationship between the joint stiffness value with balance ability and the efficient amount of stiffness required to maintain posture sway. Moreover, the effects of limited sensory inputs were also discovered. The joint motion at different external perturbations was recorded when different sensory inputs were applied. The results showed that the measurements of joint stiffness displayed imbalance; whereby, less-balanced individuals produced a high stiffness value correlating with the functional reach test (FRT) score. Furthermore, the stiffness value at the joints produced a significant difference with different sensory conditions and when various perturbation frequencies were applied (p < 0.05). The stiffness ratio between joints was also obtained. This study had successfully acquired the correlation between joint stiffness with balance ability, sensory inputs and joint synergy which crucial to maintain the posture balance.
{"title":"Analysis of joint stiffness of human posture in response to balance ability and limited sensory input during dynamic perturbation","authors":"A. Azaman, Shin-ichiroh Yamamoto","doi":"10.1504/IJECB.2015.070420","DOIUrl":"https://doi.org/10.1504/IJECB.2015.070420","url":null,"abstract":"Joint stiffness causes posture movement restriction. However, how joint stiffness responds towards imbalance still remain unclear. The objective was to observe the relationship between the joint stiffness value with balance ability and the efficient amount of stiffness required to maintain posture sway. Moreover, the effects of limited sensory inputs were also discovered. The joint motion at different external perturbations was recorded when different sensory inputs were applied. The results showed that the measurements of joint stiffness displayed imbalance; whereby, less-balanced individuals produced a high stiffness value correlating with the functional reach test (FRT) score. Furthermore, the stiffness value at the joints produced a significant difference with different sensory conditions and when various perturbation frequencies were applied (p < 0.05). The stiffness ratio between joints was also obtained. This study had successfully acquired the correlation between joint stiffness with balance ability, sensory inputs and joint synergy which crucial to maintain the posture balance.","PeriodicalId":90184,"journal":{"name":"International journal of experimental and computational biomechanics","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2015-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1504/IJECB.2015.070420","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66744862","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-07-09DOI: 10.1504/ijecb.2015.070436
Yunhua Luo, Masoud Nasiri-Sarvi
Sideways fall has been identified as the most critical situation leading to hip fracture in the elderly. The stiffness and damping property of the body joints are necessary for constructing effective biomechanical models to study fall dynamics. However, very little has been known about the joint behaviour when the body is in fall. We developed a subject specific inverse-dynamics approach to estimate the joint stiffness and damping property. The anthropometric parameters required for constructing the inverse-dynamics model was extracted from the subject's whole body dual energy X-ray absorptiometry (DXA) image. The motion data of the body in sideways fall were obtained by protected fall tests using the same subject. The joints were represented by the Kelvin-Voigt model with undetermined stiffness and damping parameters, which were then determined by solving the inverse problems. For validation purpose, the obtained joint stiffness and damping parameters were substituted back into the dynamics equations and the forward problems were solved. The predicted fall kinematic variables were compared with those measured from the fall tests. Good agreements were observed, indicating that the proposed approach is reliable and reasonably accurate.
{"title":"A subject-specific inverse-dynamics approach for estimating joint stiffness in sideways fall","authors":"Yunhua Luo, Masoud Nasiri-Sarvi","doi":"10.1504/ijecb.2015.070436","DOIUrl":"https://doi.org/10.1504/ijecb.2015.070436","url":null,"abstract":"Sideways fall has been identified as the most critical situation leading to hip fracture in the elderly. The stiffness and damping property of the body joints are necessary for constructing effective biomechanical models to study fall dynamics. However, very little has been known about the joint behaviour when the body is in fall. We developed a subject specific inverse-dynamics approach to estimate the joint stiffness and damping property. The anthropometric parameters required for constructing the inverse-dynamics model was extracted from the subject's whole body dual energy X-ray absorptiometry (DXA) image. The motion data of the body in sideways fall were obtained by protected fall tests using the same subject. The joints were represented by the Kelvin-Voigt model with undetermined stiffness and damping parameters, which were then determined by solving the inverse problems. For validation purpose, the obtained joint stiffness and damping parameters were substituted back into the dynamics equations and the forward problems were solved. The predicted fall kinematic variables were compared with those measured from the fall tests. Good agreements were observed, indicating that the proposed approach is reliable and reasonably accurate.","PeriodicalId":90184,"journal":{"name":"International journal of experimental and computational biomechanics","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2015-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1504/ijecb.2015.070436","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66745761","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-07-09DOI: 10.1504/ijecb.2015.070427
R. Fielding, Reuben H. Kraft, A. Przekwas, X. Tan
In recent military conflicts, the incidence of underbody blasts has led to severe injuries, specifically in the lower extremities. The development of a lower extremity model may lead to a better understanding of injury patterns and mechanisms. A computational finite element model of the lower extremity was developed based on geometry made available in an anatomical repository. The portion of the extremity model below the knee was used in initial comparisons between simulations and experimental data. Impact was applied via a loading plate with a vertical velocity of 5 m/s, 10 m/s, and 12 m/s. Resultant axial force was compared to experimental data. Results of these simulations fall within the range of available experimental data, which gives confidence that this model represents advancement in lower extremity modelling capabilities. Bone fracture has also been modelled and shows consistency with injuries typical of underbody blast scenarios.
{"title":"Development of a lower extremity model for high strain rate impact loading","authors":"R. Fielding, Reuben H. Kraft, A. Przekwas, X. Tan","doi":"10.1504/ijecb.2015.070427","DOIUrl":"https://doi.org/10.1504/ijecb.2015.070427","url":null,"abstract":"In recent military conflicts, the incidence of underbody blasts has led to severe injuries, specifically in the lower extremities. The development of a lower extremity model may lead to a better understanding of injury patterns and mechanisms. A computational finite element model of the lower extremity was developed based on geometry made available in an anatomical repository. The portion of the extremity model below the knee was used in initial comparisons between simulations and experimental data. Impact was applied via a loading plate with a vertical velocity of 5 m/s, 10 m/s, and 12 m/s. Resultant axial force was compared to experimental data. Results of these simulations fall within the range of available experimental data, which gives confidence that this model represents advancement in lower extremity modelling capabilities. Bone fracture has also been modelled and shows consistency with injuries typical of underbody blast scenarios.","PeriodicalId":90184,"journal":{"name":"International journal of experimental and computational biomechanics","volume":"10 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2015-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1504/ijecb.2015.070427","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66745694","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-07-09DOI: 10.1504/ijecb.2015.070435
B. Veena, A. Warke
In the 21st century, the flow of blood through stenosed arteries is one of the main research areas in computational biomechanics due to its role in the medical field. In the present investigation, a study of non-Newtonian blood flow in one half of cosine shaped stenosed artery in the presence of externally applied transverse magnetic field is proposed. The expressions for dimensionless axial velocity, wall shear stress and volumetric flow rate have been obtained. The effect of externally applied magnetic field on blood flow has been discussed with the help of graphs. All the flow characteristics are found to be affected in the presence of externally applied transverse magnetic field.
{"title":"Study of blood flow in one half of cosine shaped stenosis in the presence of magnetic field","authors":"B. Veena, A. Warke","doi":"10.1504/ijecb.2015.070435","DOIUrl":"https://doi.org/10.1504/ijecb.2015.070435","url":null,"abstract":"In the 21st century, the flow of blood through stenosed arteries is one of the main research areas in computational biomechanics due to its role in the medical field. In the present investigation, a study of non-Newtonian blood flow in one half of cosine shaped stenosed artery in the presence of externally applied transverse magnetic field is proposed. The expressions for dimensionless axial velocity, wall shear stress and volumetric flow rate have been obtained. The effect of externally applied magnetic field on blood flow has been discussed with the help of graphs. All the flow characteristics are found to be affected in the presence of externally applied transverse magnetic field.","PeriodicalId":90184,"journal":{"name":"International journal of experimental and computational biomechanics","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2015-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1504/ijecb.2015.070435","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66745717","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-02-26DOI: 10.1504/IJECB.2015.067685
T. Qu, V. Tomar
The ability of a biomaterial to transport energy by conduction is best characterised in the steady state by its thermal conductivity and in the non-steady state by its thermal diffusivity. The complex hierarchical structure of most biomaterials makes the direct determination of the thermal diffusivity and thermal conductivity difficult using experimental methods. This study presents a classical molecular simulation-based approach for the thermal diffusivity and thermal conductivity prediction for a set of tropocollagen and hydroxyapatite-based idealised biomaterial interfaces. The thermal diffusivity and thermal conductivity are calculated using the presented approach at five levels of straining (10% compressive, 5% compressive, 0%, 5% tensile, 10% tensile) at 300 K. The effects of straining, interfacial period and thickness of simulated systems on the thermal properties are analysed. Analyses point out important role played by interfaces and straining in determining biomaterial thermal properties including establishment of a notion that straining can be used to tailor the thermal properties (thermal diffusivity and thermal conductivity) of the organic-inorganic interfacial system and nanocomposite systems.
{"title":"Understanding straining induced changes in thermal properties of tropocollagen-hydroxyapatite interfacial configurations","authors":"T. Qu, V. Tomar","doi":"10.1504/IJECB.2015.067685","DOIUrl":"https://doi.org/10.1504/IJECB.2015.067685","url":null,"abstract":"The ability of a biomaterial to transport energy by conduction is best characterised in the steady state by its thermal conductivity and in the non-steady state by its thermal diffusivity. The complex hierarchical structure of most biomaterials makes the direct determination of the thermal diffusivity and thermal conductivity difficult using experimental methods. This study presents a classical molecular simulation-based approach for the thermal diffusivity and thermal conductivity prediction for a set of tropocollagen and hydroxyapatite-based idealised biomaterial interfaces. The thermal diffusivity and thermal conductivity are calculated using the presented approach at five levels of straining (10% compressive, 5% compressive, 0%, 5% tensile, 10% tensile) at 300 K. The effects of straining, interfacial period and thickness of simulated systems on the thermal properties are analysed. Analyses point out important role played by interfaces and straining in determining biomaterial thermal properties including establishment of a notion that straining can be used to tailor the thermal properties (thermal diffusivity and thermal conductivity) of the organic-inorganic interfacial system and nanocomposite systems.","PeriodicalId":90184,"journal":{"name":"International journal of experimental and computational biomechanics","volume":"3 1","pages":"62"},"PeriodicalIF":0.0,"publicationDate":"2015-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1504/IJECB.2015.067685","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66745314","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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