Pressure and temperature dependence of second-order elastic constants from third-order elastic constants in TMC (TM=Nb,Ti, V,Zr)

In this paper, we present an efficient and effective method to predict the pressure dependence and temperature dependence of second-order elastic constants (SOECs) by introducing third-order elastic constants (TOECs) in the monocarbide ultrahigh temperature ceramics. The method is validated by comparing with experiments and previous calculations in four TMCs (TM = Nb, Ti, V, Zr). Using this method, we investigate the derivatives of SOECs against pressure and temperature as well as the anisotropic properties of polycrystalline modulus. In addition, we fit the SOECs with pressure and temperature under the framework of CALPHAD for practice usage.     

Neuroscience and architecture: What does the brain tell to an emotional experience of architecture via a functional MR study?

Environment psychologically affects individuals. According to the base of cognitive psychology, there is a direct relationship between human behavior, environment, and emotional process. Assuming that pleasantness and unpleasantness are associated with peripheral nervous system activation, the current study aims to explore if the pleasant or unpleasant architectural places can stimulate the brain regions engaged in emotions or not. As the main contribution, we used functional magnetic resonance imaging (fMRI) measuring blood oxygenation level-dependent (BOLD) changes to effectively detect the brain's region that mainly responds to the emotional-perceptual processes. Based on the results of examining the emotional assessment model of “Pleasure-Arousal” applied to 140 students, 30 most-rated images representing 15 pleasant and 15 unpleasant places were shown to 32 participants in a 1.5-T MRI scanner. After applying standard preprocessing steps (re-alignment, slice-timing, co-registration, segmentation, normalization, and smoothing) to functional MR images, first-level analysis was applied to each subject. The results were evaluated using statistical corrections at different levels for female and male participants with the second-level analysis. In conclusion, it has been shown that there is a significant linkage between environmental experience and brain activation so that the architectural qualities can change blood flow in specific brain regions.     

Controlling thickness to tune performance of high-mobility transparent conducting films deposited from Ga-doped ZnO ceramic target

Structure modification has been found to tune significantly the transparent-conducting performance, especially mobility and conductivity of hydrogenated Ga-doped ZnO (HGZO) films. The strong correlation between film thickness and mobility of the films is revealed. The mobility increases quickly with increasing the thickness from 350 to 900 nm, and then tends to be saturated at further thicknesses. A higher mobility than 50 cm²/Vs can be achieved, which is an extra-high value for polycrystalline ZnO films deposited by using the sputtering technique. The thickness-dependent mobility originates from scatterings on grain boundaries and dislocation-induced defects controlled by thin-film growth. Based on the Volmer-Weber model, an expansion model is built up to describe the thickness-dependent crystal growth of the HGZO films, especially at the thick films. As a result, the 800 nm-thick HGZO film obtains the highest performance with high mobility of 51.5 cm²/Vs, low resistivity of 5.3 × 10^?4 Ωcm, and good transmittance of 83.3 %.     

Has China's coal consumption actually reached its peak? National and regional analysis considering cross-sectional dependence and heterogeneity

To investigate whether China's coal consumption has actually peaked, this study tests the national and regional coal Kuznets curve (CKC) hypothesis by using a panel dataset of 30 provinces covering 2000 to 2016. To fully capture the trends of coal consumption at the national, regional, and provincial levels, this study proposes a novel regional division method based on coal dependence and economic level. Considering the potential cross-sectional dependence and slope homogeneity, the newly developed methods allowing for heterogeneous slope coefficients are employed. The whole panel and subpanel results validate the CKC hypothesis for China, and province-specific results are mixed. The subpanel results reveal that only in the coal-dependent developing region has the peak of coal consumption not been reached, and for other regions, coal consumption displays a downward trend along with gross domestic product (GDP) increases. Furthermore, the province-specific results suggest that coal consumption will continue to increase slightly in certain provinces. This study implies that to reduce coal consumption, the coal-dependent developing region and provinces with a future turning point should act with great urgency to achieve a balance of economic growth and environmental responsibility. In addition, policymakers formulating coal consumption reduction policy in China must consider the remarkable differences across regions and provinces.     

Sequence-Dependent Nanofiber Structures of Phenylalanine and Isoleucine Tripeptides

The molecular design of short peptides to achieve a tailor-made functional architecture has attracted attention during the past decade but remains challenging as a result of insufficient understanding of the relationship between peptide sequence and assembled supramolecular structures. We report a hybrid-resolution model to computationally explore the sequence–structure relationship of self-assembly for tripeptides containing only phenylalanine and isoleucine. We found that all these tripeptides have a tendency to assemble into nanofibers composed of laterally associated filaments. Molecular arrangements within the assemblies are diverse and vary depending on the sequences. This structural diversity originates from (1) distinct conformations of peptide building blocks that lead to different surface geometries of the filaments and (2) unique sidechain arrangements at the filament interfaces for each sequence. Many conformations are available for tripeptides in solution, but only an extended β-strand and another resembling a right-handed turn are observed in assemblies. It was found that the sequence dependence of these conformations and the packing of resulting filaments are determined by multiple competing noncovalent forces, with hydrophobic interactions involving Phe being particularly important. The sequence pattern for each type of assembly conformation and packing has been identified. These results highlight the importance of the interplay between conformation, molecular packing, and sequences for determining detailed nanostructures of peptides and provide a detailed insight to support a more precise design of peptide-based nanomaterials.     

Supramolecular Chiral Aggregates Exhibiting Nonlinear CD–ee Dependence

Although a linear relationship between the optical activity (normally the CD signal) and the enantiomeric excess (ee) of chiral auxiliaries has been the most commonly observed dependence in dynamic supramolecular helical aggregates, positive nonlinear CD–ee dependence, known as the “majority-rules effect” (MRE), indicative of chiral amplification, has also been well documented and to some extent understood. In sharp contrast, the negative nonlinear CD–ee dependence has been much less reported and is not well understood. Here, the state of the art of both the positive and negative nonlinear CD–ee dependence in noncovalently bound supramolecular helical aggregates is summarized, with the hope that the vast examples of supramolecular aggregates showing positive nonlinear dependence, in terms of the methods of investigations, variations in the structure of the building block (single species or multiple species), and theoretical modeling using the mismatch penalty energy and helix reversal penalty energy, would help to guide the design of building blocks to form aggregates showing negative nonlinear dependence, and thus to understand the mechanisms. The potential applications of those functional supramolecular aggregates are also discussed.     

Study on the basic capacitance–voltage characteristics of organic molecular semiconductors

Capacitance–voltage (C–V) characteristics of organic molecular semiconductors attracted much research interest recently, but no convincing physical mechanism has been established so far. In this work, the C–V characteristics of pentacene-based devices have been systematically investigated at various frequencies. Only one peak occurs when the measuring frequency is less than 3 kHz or greater than 8 kHz. While within the frequency range between the two, two C–V peaks are observed with quite different dependence on temperature, which suggests that the origins of these two C–V peaks are respectively mobile holes and trapped carriers. This conclusion is also experimentally validated with the C–V characteristics of intentionally doped devices.     

含水率对砂岩动态拉伸强度的影响

工程中的岩石具有不同的含水性，研究不同含水率岩石动态力学性质的变化规律，对岩石工程的设计和建设具有很强的指导意义。为研究不同含水率对砂岩动态拉伸强度的影响，利用霍普金森压杆（SHPB）试验装置对不同含水率试样进行了一系列动态巴西劈裂试验，研究了不同含水率砂岩在不同加载率条件下的动态拉伸强度变化规律。试验结果表明：岩石的动态拉伸强度随着加载率的增加而增加，其率相关性与含水率有关，饱和试样的率相关性较强，而干燥岩石的动态强度对加载率的变化不敏感。当加载率较低时，岩石的拉伸强度随着含水率的增加而降低；当加载率较高时，由于水的Stefan效应，水对岩石裂纹产生抗力，阻碍其扩展，导致岩石强度增加，饱和试样的动态拉伸强度出现高于非饱和试样强度的现象。     

Study of haze emission efficiency based on new co-opetition data envelopment analysis

As haze intensifies in China, controlling haze emission has become the country's top priority for environmental protection. Because haze moves across different regions, it is necessary to develop a data envelopment analysis (DEA) model underpinned by both competition and cooperation to evaluate the haze emission efficiency in different provinces. This study innovatively adopts the spatial econometrics to construct the co-opetition matrices of Chinese provinces, then builds the co-opetition DEA model to evaluate the haze emission efficiency of them, and finally uses the haze data of 2015 as an example to assess the applicability of the model. The results of the study include the following: First, compared with the traditional CCR (A. Charnes & W. W. Cooper & E. Rhodes) model, this study constructs the co-opetition DEA cross-efficiency model that integrates haze's feature of cross-border moving; thus, it is more in line with the reality of haze emission and movement. Second, compared with the efficiency value gained from the CCR model, the haze emission efficiency values for Tianjin and Guangdong, two decision-making units, register greater variance when using the DEA model. The reason might lie in that they have a different spatial transportation relationship with their surrounding provinces. Third, the haze emission efficiency of provinces, according to the evaluation based on the co-opetition DEA method, varies greatly: Those with high efficiency are mostly inland provinces with slow economic growth and adverse climatic conditions, whereas many of the provinces with low efficiency are located in the relatively prosperous East China. The specific co-opetition DEA model constructed in this study enriches the research on the DEA model, which can be applied to the emission efficiency evaluation of similar pollutants around the world and can contribute empirical support to the haze reducing efforts of the government with its empirical results.     

Prediction of Long-Term Treatment Response to Selective Serotonin Reuptake Inhibitors (SSRIs) Using Scalp and Source Loudness Dependence of Auditory Evoked Potentials (LDAEP) Analysis in Patients with Major Depressive Disorder

Background: Animal and clinical studies have demonstrated that the loudness dependence of auditory evoked potentials (LDAEP) is inversely related to central serotonergic activity, with a high LDAEP reflecting weak serotonergic neurotransmission and vice versa, though the findings in humans have been less consistent. In addition, a high pretreatment LDAEP appears to predict a favorable response to antidepressant treatments that augment the actions of serotonin. The aim of this study was to test whether the baseline LDAEP is correlated with response to long-term maintenance treatment in patients with major depressive disorder (MDD). Methods: Scalp N1, P2 and N1/P2 LDAEP and standardized low resolution brain electromagnetic tomography-localized N1, P2, and N1/P2 LDAEP were evaluated in 41 MDD patients before and after they received antidepressant treatment (escitalopram (n = 32, 10.0 ± 4.0 mg/day), sertraline (n = 7, 78.6 ± 26.7 mg/day), and paroxetine controlled-release formulation (n = 2, 18.8 ± 8.8 mg/day)) for more than 12 weeks. A treatment response was defined as a reduction in the Beck Depression Inventory (BDI) score of >50% between baseline and follow-up. Results: The responders had higher baseline scalp P2 and N1/P2 LDAEP than nonresponders (p = 0.017; p = 0.036). In addition, changes in total BDI score between baseline and follow-up were larger in subjects with a high baseline N1/P2 LDAEP than those with a low baseline N1/P2 LDAEP (p = 0.009). There were significantly more responders in the high-LDAEP group than in the low-LDAEP group (p = 0.041). Conclusions: The findings of this study reveal that a high baseline LDAEP is associated with a clinical response to long-term antidepressant treatment.