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In this research, we utilized density functional theory (DFT) computations to perform ab initio molecular dynamics simulations and static calculations on graphene, hexagonal boron nitride, and their heterostructures, subjecting them to strains, perturbations, twist angles, and defects. The gathered energy, force, and virial information informed the creation of a training set comprising 1253 structures. Employing the Neural Evolutionary Potential framework integrated into Graphics Processing Units Molecular Dynamics, we fitted a machine learning potential (MLP) that closely mirrored the DFT potential energy surface. Rigorous validation of lattice constants and phonon dispersion relations confirmed the precision and dependability of the MLP, establishing a solid foundation for subsequent thermal transport investigations. A further analysis of the impact of twist angles uncovered a significant reduction in thermal conductivity, particularly notable in heterostructures with a decline exceeding 35%. The reduction in thermal conductivity primarily stems from the twist angle-induced softening of phonon modes and the accompanying increase in phonon scattering rates, which intensifies anharmonic interactions among phonons. Our study underscores the efficacy of the MLP in delineating the thermal transport attributes of two-dimensional materials and their heterostructures, while also elucidating the micro-mechanisms behind the influence of the twist angle on thermal conductivity, offering fresh perspectives for the design of advanced thermal management materials. [ABSTRACT FROM AUTHOR]

The high increase in interface density has become the main bottleneck for heat dissipation in gallium nitride/aluminum nitride (AlN)/silicon carbide (SiC) based nanodevices. In this paper, the interfacial thermal conductance (ITC) of AlN/SiC interface is investigated by non-equilibrium molecular dynamics simulation. It is found that introducing amorphous layers at AlN/SiC interface will result in an enhancement of its ITC by 2.32 times. Three different amorphous layers are investigated and can be achieved by fast thermal annealing. Among them, the amorphous SiC layers work best, and the amorphous AlN layers work worst. Further spectral analysis reveals that the enhancement of ITC comes from the strengthening of interfacial inelastic phonon processes, which boosts the transport of modes at a wide frequency range. What is more, as the thickness of amorphous layers increases, the enhancement of ITC weakens. This research provides a highly operational strategy to enhance ITC and enriches our understanding of inelastic phonon process at interface. [ABSTRACT FROM AUTHOR]

Thermal rectification is a nonreciprocal thermal transport phenomenon, which typically takes place in asymmetric structures or hetero-junctions. In this work, we propose a new route to achieve remarkable thermal rectification even in pristine single-layer graphene without asymmetry by engineering the thermal contacts at the two ends. When setting a fixed long thermal contact at one end and varying the length of thermal contact at the other end, our molecular dynamics simulations demonstrate that notable thermal rectification efficiency can be achieved with very short thermal contact, which vanishes in the limit of long thermal contact. Such a strategy of asymmetric thermal contact can provide a significant enhancement of thermal rectification efficiency, achieving around 920% thermal rectification in the short sample with a length of 200 nm and around 110% thermal rectification in the micrometer scale sample. Phonon participation ratio analysis reveals that the strong localization of low-frequency acoustic phonons is induced by the short thermal contact in the backward direction, leading to a significant temperature jump at the short thermal contact in the backward direction and thus the thermal rectification in pristine single-layer graphene. Our study provides a new path to achieve notable thermal rectification even in the symmetric structures by engineering the thermal contact. [ABSTRACT FROM AUTHOR]

The growing issue of particulate matter (PM) air pollution has given rise to extensive research into the development of high-performance air filters recently. As the core of air filters, various types of electrospun nanofiber membranes have been fabricated and developed. With the novel poly(acrylonitrile) (PAN)-CuCl2 composite nanofiber membranes as the filter membranes, we demonstrate the high PM removal efficiency exceeding 99% and can last a long service time. The nanoscale morphological characteristics of nanofiber membranes were investigated by scanning electron microscopy, transmission electron microscopy, and mercury intrusion porosimeter. It is found that they appear to have a special net structure at specific CuCl2 concentrations, which substantially improves PM removal efficiency. We anticipate the PAN-CuCl2 composite nanofiber membranes will be expected to effectively solve some pressing problems in air filtration. [ABSTRACT FROM AUTHOR]

The fine particulate matter (PM) pollution has become a serious concern to public health. As the core part of PM air filters, high-performance electrostatic nanofiber membranes are urgently needed. However, the existing air filters remain challenging to further decrease the pressure drop to improve the wearer comfort. On the other hand, the rapidly disappearing static electricity of the existing electrostatic nanofiber inevitably gives rise to a relatively short service life. Here, we demonstrate a novel and enhanced electrostatic nanofiber membrane by introducing the halloysite nanotubes (HNTs) to the traditional electrospun PAN nanofiber membrane. The optimal PAN-HNTs nanofiber membrane shows a high removal efficiency of 99.54%, a low pressure drop of 39 Pa, and a high quality factor of 0.89 Paâˆ'1. This greatly improved filtration performance can be attributed to the increased surface area and diameter of nanofiber after introducing the HNTs as additives with suitable doping concentrations. More importantly, compared with the pure PAN nanofiber membrane, the electrostatic capacity of the PAN-HNTs nanofiber membrane is significantly enhanced, which is confirmed by the leaf electroscope. After introducing the HNTs as additives, the surface of the PAN-HNTs nanofiber membrane becomes hydrophilic, which benefits for preventing foulants from attaching to the surface. We anticipate that the PAN-HNTs nanofibers as high-performance membrane air filters will bring great benefits to public health. [ABSTRACT FROM AUTHOR]

The thermal transport of Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) nanofiber is contributed by the electronic component of thermal conduction and the phonon component of thermal conduction. The relationship between the electrical conductivity and thermal conductivity of these conducting polymers is of great interest in thermoelectric energy conversation. In this work, we characterized the axial electrical conductivities and thermal conductivities of the single PEDOT:PSS nanofibers and found that the Lorenz number L is larger than Sommerfeld value L0 at 300 K. In addition, we found that the L increased significantly in the low-temperature region. We consider that this trend is due to the bipolar contribution of conducting polymers with low-level electrical conductivity and the increasing trend of the electronic contribution to thermal conductivity in low-temperature regions. [ABSTRACT FROM AUTHOR]

Particulate matters (PMs) air pollution is identified as the major threat to public health and climate. High-performance air filter technology based on various electrospun nanofibers is considered as an effective strategy to eliminate the effects of PMs air pollution. However, to date, nearly all the existing micro-/nanofibers are hard to meet both requirements of high PMs removal efficiency and long service life. In this work, we reported the production of laminated polyacrylonitrile(PAN)-boehmite nanoparticles (BNPs) nanofiber structured membrane by the electrospinning process. The dimension of PAN-BNPs nanofiber can be tunable from (0.09 ± 0.03) μm to (0.81 ± 0.11) μm by controlling the PAN and BNPs concentrations in precursors. The optimized PAN-BNPs nanofiber air filter with a basis weight of 1 g m−2 demonstrates the attractive attributes of high PM2.5 removal efficiency up to 99.962% and low pressure drop of 58 Pa. Most importantly, after introducing the BNPs as electret, the removal efficiency is very stable under the air flow rate of 6 l min−1. This PAN-BNPs nanofiber with a long electrostatic duration time offers an approach for fabricating future high-performance air filters. [ABSTRACT FROM AUTHOR]

Graves' disease (GD) is a T cell-mediated organ-specific autoimmune disorder. GD patients who have taken anti-thyroid drugs (ATDs) for more than 5 years with positive anti-thyroid stimulating hormone receptor autoantibodies value were defined as persistent GD (pGD). To develop novel immunotherapies for pGD, we investigated the role of T cells in the long-lasting phase of GD. Clinical characteristics were compared between the pGD and newly diagnosed GD (nGD) (N = 20 respectively). Flow cytometric analysis was utilized to determine the proportions of Treg and Th17 cells (pGD, N = 12; nGD, N = 14). T cell receptor sequencing (TCR-seq) and RNA sequencing (RNA-seq) were also performed (pGD, N = 13; nGD, N = 20). Flow cytometric analysis identified lower proportions of Th17 and Treg cells in pGD than in nGD (P = 0.0306 and P = 0.0223). TCR-seq analysis revealed a lower diversity (P = 0.0025) in pGD. Specifically, marked clonal expansion, represented by an increased percentage of top V-J recombination, was observed in pGD patients. Interestingly, pGD patients showed more public T cell clonotypes than nGD patients (2,741 versus 966). Meanwhile, RNA-seq analysis revealed upregulation of the inflammation and chemotaxis pathways in pGD. Specifically, the expression of pro-inflammatory and chemotactic genes (IL1B , IL13 , IL8 , and CCL4) was increased in pGD, whereas Th17 and Treg cells associated genes (RORC , CARD9 , STAT5A , and SATB1) decreased in pGD. Additionally, TCR diversity was negatively correlated with the expression of pro-inflammatory or chemotactic genes (FASLG , IL18R1 , CCL24 , and CCL14). These results indicated that Treg dysregulation and the expansion of pathogenic T cell clones might be involved in the long-lasting phase of GD via upregulating chemotaxis or inflammation response. To improve the treatment of pGD patients, ATDs combined therapies, especially those aimed at improving Treg cell frequencies or targeting specific expanded pathogenic TCR clones, are worth exploring in the future. [ABSTRACT FROM AUTHOR]

Elastomeric conductive hybrid hydrogels (ECHs) combining conducting polymers with elastomeric hydrogels have recently attracted interest due to their wide range of applications in bioelectronics such as wearable or implantable sensing devices. However, the conductivity of ECHs is typically compromised when conductive polymers are used as fillers in hydrogel networks because the inherent limitations of ECHs severely restrict their applicability. Here, we significantly improved the electrical conductivity of ECHs by using a bioinspired catechol derivative, dopamine (DA), as the dopant and mediator for the in situ polymerization of conducting polypyrrole (PPy) within the elastomeric hydrogel dual-networks. In general, ECHs prepared by conventional methods tend to form separate island structures of conductive polymers dispersed within porous hydrogel matrices. We found that a continuous conductive PPy network prepared using the DA mediator facilitated fast electron transfer within the ECHs, which showed good elastomeric mechanical properties, excellent biocompatibility and high force- or strain-responsiveness suitable for implantable strain-sensing applications. [ABSTRACT FROM AUTHOR]

Summary: Objective: Intravenous methylprednisolone (IVMP) is recommended as the first‐line treatment for moderate‐to‐severe and active thyroid‐associated ophthalmopathy (TAO). This study aimed to identify potential predictors and establish a multivariable prediction model for the efficacy of IVMP therapy. Design: A single‐centre retrospective study. Patients: A total of 302 consecutive patients diagnosed with moderate‐to‐severe and active TAO who underwent the full course of IVMP therapy were included. Methods: Participants were sequentially divided into the training set (n = 200) and the validation set (n = 102). Multivariate logistic regression analysis was used to identify the independent predictors and establish the predictive model. Results: In addition to the pretreatment clinical activity score (OR = 3.506, P < 0.001), elevated thyroid‐stimulating hormone (TSH) levels during treatment (OR = 0.145, P = 0.005), pretreatment anti‐TSH receptor antibody levels (OR = 0.061, P < 0.001) and duration of eye symptoms (OR = 0.878, P = 0.017), a significant relationship was found between therapeutic efficacy and the pretreatment triglyceride levels (OR = 0.090, P = 0.001). The prediction model showed good calibration and excellent discrimination, with an area under curve of 0.915 (P < 0.001) and 0.885 (P < 0.001) in the training and validation sets, respectively. Conclusions: This study provides some novel insights into the factors associated with the efficacy of IVMP therapy. A multivariable prediction model has been established and validated to help determine the indication and prognosis of IVMP therapy. Moreover, several suggestions have been made in the management of TAO patients: early diagnosis and treatment (within 15 months); prompt restoration and maintenance of euthyroidism, especially meticulous control of TSH levels (≤5 μIU/mL); and regular monitoring of triglyceride levels. [ABSTRACT FROM AUTHOR]

The effects of defect and isotopic doping with different ratios on the thermal conductivity of graphene are investigated by using non-equilibrium molecular dynamics simulations and normal mode analysis method. In contrast to the persisted size dependent thermal conductivity in the pristine graphene, thermal conductivity of defected graphene quickly saturates when the size is greater than 100 nm. Similar to the pristine graphene, we find the thermal conductivity of defected and doped graphene follows ∼ T − α behavior, and the power exponent α is sensitive to the defect and doping ratio. The spectral phonon relaxation time and normalized accumulation thermal conductivity with respect to the phonon mean free path (MFP) reveal that the long-MFP phonon modes are strongly suppressed in the defected and doped graphene, resulting in the suppressed size dependence and the weaker temperature dependence of the thermal conductivity compared to the pristine graphene. The phonon modal analysis in our work establishes a deep understanding of the defect and doping effects on the thermal transport in graphene, which would provide effective guidance to the graphene-based phonon engineering applications. [ABSTRACT FROM AUTHOR]

Background: Hashimoto's thyroiditis (HT) is considered to be the most common autoimmune disease. It is currently accepted that genetic susceptibility, environmental factors, and immune disorders contribute to its development. With regard to nutritional factors, evidence implicates high iodine intake and deficiencies of selenium and iron with a potential relevance of vitamin D status. To elucidate the role of nutritional factors in the risk, pathogenesis, and treatment of HT, PubMed and the Cochrane Library were searched for publications on iodine, iron, selenium, and vitamin D and risk/treatment of HT. Summary: Chronic exposure to excess iodine intake induces autoimmune thyroiditis, partly because highly iodinated thyroglobulin (Tg) is more immunogenic. Recent introduction of universal salt iodization can have a similar, though transient, effect. Selenoproteins are essential to thyroid action. In particular, the glutathione peroxidases protect the thyroid by removing excessive hydrogen peroxide produced for Tg iodination. Genetic data implicate the anti-inflammatory selenoprotein S in HT risk. There is evidence from observational studies and randomized controlled trials that selenium/selenoproteins can reduce thyroid peroxidase (TPO)-antibody titers, hypothyroidism, and postpartum thyroiditis. Iron deficiency impairs thyroid metabolism. TPO, the enzyme responsible for the production of thyroid hormones, is a heme (iron-containing) enzyme which becomes active at the apical surface of thyrocytes only after binding heme. HT patients are frequently iron deficient, since autoimmune gastritis, which impairs iron absorption, is a common co-morbidity. Treatment of anemic women with impaired thyroid function with iron improves thyroid-hormone concentrations, while thyroxine and iron together are more effective in improving iron status. Lower vitamin D status has been found in HT patients than in controls, and inverse relationships of serum vitamin D with TPO/Tg antibodies have been reported. However, other data and the lack of trial evidence suggest that low vitamin D status is more likely the result of autoimmune disease processes that include vitamin D receptor dysfunction. Conclusions: Clinicians should check patients' iron (particularly in menstruating women) and vitamin D status to correct any deficiency. Adequate selenium intake is vital in areas of iodine deficiency/excess, and in regions of low selenium intake a supplement of 50-100 μg/day of selenium may be appropriate. [ABSTRACT FROM AUTHOR]

Aiming at developing high thermal conductivity copper/diamond composite, an unconventional approach applying self-assembled monolayer (SAM) prior to the high-temperature sintering of copper/diamond composite was utilized to enhance the thermal boundary conductance (TBC) between copper and diamond. The enhancement was first systematically confirmed on a model interface system by detailed SAM morphology characterization and TBC measurements. TBC significantly depends on the SAM coverage and ordering, and the formation of high-quality SAM promoted the TBC to 73 MW/m2-K from 27 MW/m2-K, the value without SAM. With the help of molecular dynamics simulations, the TBC enhancement was identified to be determined by the number of SAM bridges and the overlap of vibrational density of states. The diamond particles of 210 μm in size were simultaneously functionalized by SAM with the condition giving the highest TBC in the model system and sintered together with the copper to fabricate isotropic copper/diamond composite of 50% volume fraction. The measured thermal conductivity marked 711 W/m-K at room temperature, the highest value among the ones with similar diamond-particles volume fraction and size. This work demonstrates a novel strategy to enhance the thermal conductivity of composite materials by SAM functionalization. The precisely-controlled scalable nanointerface by the organic monolayer was firstly implemented in the fabrication of pronounced high thermal conductive composite through the high-temperature plasma sintering process. Image 1 • Self-assembled monolayer is firstly applied in the fabrication of high thermal conductive composite material by sintering. • The number of chains and the phonon transmission via each chain molecule determines the interfacial thermal conductance. • The nanointerface with extensive area in the composite can be precisely controlled by the scalable experimental process. • A marked thermal conductivity is realized for the copper/diamond composite. [ABSTRACT FROM AUTHOR]

The article talks about a study to determine the geological characteristics of Herenping Albite-quartz Lode gold deposit located in Western Hunan, South China. Topics discussed include gold-bearing veins found in the Herenping mining district, composition of carbonate and sulfides in ore veins, and common sulphides present in the ore including pyrite, galena, and sphalerite.

Recently, single-layer MoS 2 has increasingly promised a great potential in both thermoelectric and thermal management application due to its high Seebeck coefficient and intrinsic band gap. Herein, we investigate thermal conductivity of single-layer MoS 2 sheet and the effect of atomic-scale lattice defects and temperature on thermal conductivity using non-equilibrium molecular dynamics simulations (NEMD). Simulations results indicate the thermal conductivity can be suppressed by lattice defects and the increase in the range of temperature from 100 K to 400 K. Moreover, the physical mechanism of the thermal conductivity reduction was analyzed based on the phonon group velocity, participation ratio and phonon spectral transmission coefficient. Interestingly, it is revealed that the reduction of thermal conductivity results from the decreased phonon group velocity induced by defects, and phonon localization around lattice defects. Furthermore, the contributions from various frequency range of phonons to the thermal conductivity of pristine and defective structure were quantified. Especially, it is found that the coupling strength of between low-frequency and high-frequency phonons gradually increases due to the introduction of atomic-scale defects. This study is beneficial for thermal management of nanodevices and optimizing the thermoelectric properties of MoS 2 based materials. • The effect of atomic-scale defects and temperature on thermal conductivity in single-layer MoS 2 are explored. • Phonon localization around atomic-scale lattice defects results in the reduction of thermal conductivity. • The defect scattering enhances the coupling between low-frequency and high-frequency phonons. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • The charges converged on the surface of KNN by polarization. • KNN with piezoelectric constant of 80 pC/N achieved almost 100% antibacterial rate. • The antibacterial effect and biocompatibility were positive charges-dependent. Abstract The implant infection is one of the most serious postsurgical complications of medical device implantation. Therefore, the development of biocompatible materials with improved antibacterial properties is of great importance. It might be a new insight to apply the intrinsic electrical properties of biomaterials to solve this problem. Here, potassium-sodium niobate piezoceramics (K 0.5 Na 0.5 NbO 3 , KNN) with different piezoelectric constants were prepared, and the microstructures and piezoelectric properties of these piezoceramics were evaluated. Moreover, the antibacterial effect and biocompatibility of these piezoceramics were assayed. Results showed that these piezoceramics were able to decrease the colonies of bacteria staphylococcus aureus (S. aureus), favor the rat bone marrow mesenchymal stem cells (rBMSCs) proliferation and promote the cell adhesion and spreading. The above effects were found closely related to the surface positive charges of the piezoceramics, and the sample bearing the most positive charges on its surface (sample 80KNN) had the best performance in both antibacterial effect and biocompatibility. Based on our work, it is feasible to develop biocompatible antibacterial materials by controlling piezoelectric properties. [ABSTRACT FROM AUTHOR]

Van der Waals heterostructures have great potential for realizing ultimately low thermal conductivity because defectless interfaces can be constructed at a length scale smaller than the phonon wavelength, allowing modulation of coherent phonon transport. In this Letter, we demonstrate the mechanism for thermal conductivity reduction at a mode-resolved level. The graphene-WS 2 heterostructure with the lowest cross-plane thermal conductivity of 0.048 W/(m·K) is identified from 16,384 candidates by combining Bayesian optimization and molecular dynamics simulations. Then, the angle-resolved phonon transmission is calculated using the mode-resolved atomistic Green's function. The results reveal that the optimal heterostructure nearly completely terminates phonon transport with finite incident angles, owing to the reduced critical incident angle and suppression of phonon tunneling.

Thermal boundary conductance is typically positively correlated with interfacial adhesion at the interface. Here, we demonstrate a counterintuitive experimental result in which a weak van der Waals interface can give a higher thermal boundary conductance than a strong covalently bonded interface. This occurs in a system with highly mismatched vibrational frequencies (copper/diamond) modified by a self-assembled monolayer. Using finely controlled fabrication and detailed characterization, complemented by molecular simulation, the effects of bridging the vibrational spectrum mismatch and bonding at the interface are systematically varied and understood from a molecular dynamics viewpoint. The results reveal that the bridging and binding effects have a trade-off relationship and, consequently, that the bridging can overwhelm the binding effect at a highly mismatched interface. This study provides a comprehensive understanding of phonon transport at interfaces, unifying physical and chemical understandings, and allowing interfacial tailoring of the thermal transport in various material systems., (Copyright © 2021 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).)

Recently, two-dimensional (2D) monolayers C 3 B and C 3 N attract growing research interest due to the excellent physical properties. In this work, the thermal conductivities (k) of the monolayer C 3 B x N 1-x alloy and the special C 3 B 0.5 N 0.5 superlattice (C 3 B 0.5 N 0.5 -SL) alloy are systematically evaluated by using molecular dynamic simulation. First, the k of monolayer C 3 B x N 1-x alloy presents a U-shaped profile with the increasing random doping ratio (x), in which the lowest k exists in x = 0.5. Second, we further calculate the thermal conductivity of C 3 B 0.5 N 0.5 -SL. The result shows an initial decreasing and then rising trend, and the coherent length is 5.11 nm which occupies the minimum thermal conductivity. Furthermore, to uncover the phonon thermal transport mechanism, we calculate the spatiotemporal thermal transport, phonon density of states, phonon group velocity, participation ratio and the phonon wave packet simulations in monolayer alloy system. We note that on account of the random doping atoms, the enhancive phonon-impurity scattering and phonon localization reduce the thermal conductivity in monolayer C 3 B x N 1-x alloy. In C 3 B 0.5 N 0.5 -SL, when the period length is smaller than the coherent length, coherent phonon modes emerge because of the phonon interference, in which the superlattice can be regarded as a 'newly generated material'. However, when the period length is larger than the coherent length, the decreasing number of the interface in superlattice lessens phonon-interface scattering and cause the increasing thermal conductivity. This work contributes the fundamental knowledge for thermal management in 2D monolayer C 3 B x N 1-x alloy based nanoelectronics.

Autoimmune thyroid disease (AITD) is characterized by a loss of self-tolerance to thyroid antigen. Tregs, whose proportions are controversial among CD4+ T cell from AITD patients (AITDs), are crucial in immune tolerance. Considering that drugs might affect Treg levels, we assumed that the differences originated from different treatment statuses. Thus, we performed a meta-analysis to explore proportions of Tregs in untreated and treated AITDs. PubMed, Embase and ISI Web of Knowledge were searched for relevant studies. Review Manager 5.3 and Stata 14.0 were used to conduct the meta-analysis. Subgroup analysis based on different diseases and cell surface markers was performed. Egger linear regression analysis was used to assess publication bias. Approximately 1,100 AITDs and healthy controls (HCs) from fourteen studies were included. Proportions of Tregs among CD4+ T cells of untreated AITDs were significantly lower than those in HCs (p = 0.002), but were not in treated patients (p = 0.40). Subgroup analysis revealed lower proportions of Tregs in untreated Graves' disease patients (GDs) (p = 0.001) but did not show obvious differences in untreated Hashimoto's thyroiditis patients (HTs) (p = 0.62). Furthermore, proportions of circulating FoxP3+ Tregs were reduced in untreated GDs (p < 0.00001) and HTs (p = 0.04). No publication bias was found. In this first meta-analysis exploring proportions of circulating Tregs among CD4+ T cells of AITDs with different treatment statuses, we found that Tregs potentially contribute to the pathogenesis of AITD but function differently in GD and HT. Remarkably, FoxP3+ Tregs, which were decreased in both diseases, might be promising targets for novel therapies.

Purpose: To investigate the importance of dietary selenium (Se) for hyperthyroidism., Methods: We performed a more in-depth analysis of a large cross-sectional study of 6152 participants from two counties within the Shaanxi Province, China. These counties are characterized by different habitual Se intake. We investigated the effects of a different dietary Se supply (0.02, 0.18, 0.6, or 2.0 ppm Se) on disease development in a mouse model of Graves disease (GD)., Results: The cross-sectional study revealed a comparable prevalence of hyperthyroidism, irrespective of Se intake, in both counties. However, an unexpected sex-specific difference was noted, and Se deficiency might constitute a risk factor for hyperthyroidism, especially in males. In a mouse model, pathological thyroid morphology was affected, and greater Se intake exerted some protecting effects on the pathological distortion. Circulating thyroid hormone levels, malondialdehyde concentrations, total antioxidant capacity, and the titer of GD-causing TSH receptor autoantibodies were not affected by Se. Expression analysis of the transcripts in the spleen indicated regulatory effects on genes implicated in the immune response, erythropoiesis, and oxygen status. However, the humoral immune response, including the CD4/CD8 or T-helper 1/T-helper 2 cell ratio and the concentration of regulatory T cells, was similar between the experimental groups, despite the difference in Se intake., Conclusions: Our data have highlighted a sexual dimorphism for the interaction of Se and thyroid disease risk in humans, with indications of a local protective effects of Se on thyroid gland integrity, which appears not to be reflected in the circulating biomarkers tested.

Through nonequilibrium molecular dynamics simulations, we report the direct numerical evidence of the coherent phonons participating in thermal transport at room temperature in graphene phononic crystal (GPnC) structure and evaluate their contribution to thermal conductivity based on the two-phonon model. With decreasing period length in GPnC, the transition from the incoherent to coherent phonon transport is clearly observed. When a random perturbation to the positions of holes is introduced in a graphene sheet, the phonon wave-packet simulation reveals the presence of notable localization of coherent phonons, leading to the significant reduction of thermal conductivity and suppressed length dependence. Finally, the effects of period length and temperature on the coherent phonon contribution to thermal conductivity are also discussed. Our work establishes a deep understanding of the coherent phonons transport behavior in periodic phononic structures, which provides effective guidance for engineering thermal transport based on a new path via phonon localization.

Modifying phonon thermal conductivity in nanomaterials is important not only for fundamental research but also for practical applications. However, the experiments on tailoring thermal conductivity in nanoscale, especially in two-dimensional materials, are rare due to technical challenges. In this work, we demonstrate the in situ thermal conduction measurement of MoS 2 and find that its thermal conductivity can be continuously tuned to a required value from crystalline to amorphous limits. The reduction of thermal conductivity is understood from phonon-defect scattering that decreases the phonon transmission coefficient. Beyond a threshold, a sharp drop in thermal conductivity is observed, which is believed to be due to a crystalline-amorphous transition. Our method and results provide guidance for potential applications in thermoelectrics, photoelectronics, and energy harvesting where thermal management is critical with further integration and miniaturization.

Supported graphene on a standard SiO 2 substrate exhibits unsatisfactory heat dissipation performance that is far inferior to the intrinsic ultrahigh thermal conductivity of a suspended sample. A suitable substrate for enhancing thermal transport in supported graphene is highly desirable for the development of graphene devices for thermal management. By using molecular dynamics simulations, here we demonstrate that bulk hexagonal boron nitride (h-BN) is a more appealing substrate to achieve high performance heat dissipation in supported graphene. Notable length dependence and high thermal conductivity are observed in h-BN-supported single-layer graphene (SLG), suggesting that the thermal transport characteristics are close to that of suspended SLG. At room temperature, the thermal conductivity of h-BN-supported SLG is as high as 1347.3 ± 20.5 Wm -1 K -1 , which is about 77% of that for the suspended case, and is more than twice that of the SiO 2 -supported SLG. Furthermore, we find that the smooth and atomically flat h-BN substrate gives rise to a regular and weak stress distribution in graphene, resulting in a less affected phonon relaxation time and dominant phonon mean free path. We also find that stacking and rotation significantly impacts the thermal transport in h-BN-supported graphene. Our study provides valuable insights towards the design of graphene devices on realistic substrate for high performance heat dissipation applications.

By using non-equilibrium molecular dynamics simulations, modulating the temperature dependence of thermal conductivity of graphene phononic crystals (GPnCs) is investigated. It is found that the temperature dependence of thermal conductivity of GPnCs follows ∼T (-α) behavior. The power exponents (α) can be efficiently tuned by changing the characteristic size of GPnCs. The phonon participation ratio spectra and dispersion relation reveal that the long-range phonon modes are more affected in GPnCs with larger holes (L 0). Our results suggest that constructing GPnCs is an effective method to manipulate the temperature dependence of thermal conductivity of graphene, which would be beneficial for developing GPnC-based thermal management and signal processing devices.

In this Paper, we investigate numerically and analytically the thermal conductivity of nanoscale graphene disks (NGDs), and discussed the possibility to realize functionally graded material (FGM) with only one material, NGDs. Different from previous studies on divergence/non-diffusive of thermal conductivity in nano-structures with different size, we found a novel non-homogeneous (graded) thermal conductivity along the radius direction in a single nano-disk structure. We found that, instead of a constant value, the NGD has a graded thermal conductivity along the radius direction. That is, Fourier's law of heat conduction is not valid in two dimensional graphene disk structures Moreover, we show the dependent of NGDs' thermal conductivity on radius and temperature. Our study might inspire experimentalists to develop NGD based versatile FGMs, improve understanding of the heat removal of hot spots on chips, and enhance thermoelectric energy conversion efficiency by two dimensional disk with a graded thermal conductivity.