Combining stochastic density functional theory with deep potential molecular dynamics to study warm dense matter

In traditional finite-temperature Kohn–Sham density functional theory(KSDFT),the partial occupation of a large number of high-energy KS eigenstates restricts the use of first-principles molecular dynamics methods at extremely high temperatures.However,stochastic density functional theory(SDFT)can overcome this limitation.Recently,SDFT and the related mixed stochastic–deterministic density functional theory,based on a plane-wave basis set,have been implemented in the first-principles electronic structure software ABACUS[Q.Liu and M.Chen,Phys.Rev.B 106,125132(2022)].In this study,we combine SDFT with the Born–Oppenheimer molecular dynamics method to investigate systems with temperatures ranging from a few tens of eV to 1000 eV.Importantly,we train machine-learning-based interatomic models using the SDFT data and employ these deep potential models to simulate large-scale systems with long trajectories.Subsequently,we compute and analyze the structural properties,dynamic properties,and transport coefficients of warm dense matter.

Transient response of doubly-curved bio-inspired composite shells resting on viscoelastic foundation subject to blast load using improved first-order shear theory and isogeometric approach

Investigating natural-inspired applications is a perennially appealing subject for scientists. The current increase in the speed of natural-origin structure growth may be linked to their superior mechanical properties and environmental resilience. Biological composite structures with helicoidal schemes and designs have remarkable capacities to absorb impact energy and withstand damage. However, there is a dearth of extensive study on the influence of fiber redirection and reorientation inside the matrix of a helicoid structure on its mechanical performance and reactivity. The present study aimed to explore the static and transient responses of a bio-inspired helicoid laminated composite(B-iHLC) shell under the influence of an explosive load using an isomorphic method. The structural integrity of the shell is maintained by a viscoelastic basis known as the Pasternak foundation, which encompasses two coefficients of stiffness and one coefficient of damping. The equilibrium equations governing shell dynamics are obtained by using Hamilton's principle and including the modified first-order shear theory,therefore obviating the need to employ a shear correction factor. The paper's model and approach are validated by doing numerical comparisons with respected publications. The findings of this study may be used in the construction of military and civilian infrastructure in situations when the structure is subjected to severe stresses that might potentially result in catastrophic collapse. The findings of this paper serve as the foundation for several other issues, including geometric optimization and the dynamic response of similar mechanical structures.

Charge self-consistent dynamical mean field theory calculations incombination with linear combination of numerical atomic orbitalsframework based density functional theory

We present a formalism of charge self-consistent dynamical mean field theory(DMFT)in combination with densityfunctional theory(DFT)within the linear combination of numerical atomic orbitals(LCNAO)framework.We implementedthe charge self-consistent DFT+DMFT formalism by interfacing a full-potential all-electron DFT code with threehybridization expansion-based continuous-time quantum Monte Carlo impurity solvers.The benchmarks on several 3d,4fand 5f strongly correlated electron systems validated our formalism and implementation.Furthermore,within the LCANOframework,our formalism is general and the code architecture is extensible,so it can work as a bridge merging differentLCNAO DFT packages and impurity solvers to do charge self-consistent DFT+DMFT calculations.

Argа-Bilig theory in traditional Mongolian medicine:a theoretical and practical perspective

The concept of Arga and Bilig serves as a foundational principle in both ancient Mongolian philosophy and traditional Mongolian medicine (TMM). Arga, symbolized by brightness and associated with qualities of fire and activity, complements Bilig, symbolized by darkness and representing attributes of water and stillness. Together, these opposing forces permeate all aspects of existence, from the genesis of parenthood to the interplay of day and night. Understanding Arga-Bilig is crucial for diagnosing and treating diseases, as it illuminates the source of imbalance within the body. This review provides an overview of the significance of Arga-Bilig in Mongolian philosophy and its application in TMM, emphasizing the dynamic interplay of these opposing forces and their role in maintaining balance and harmony within the body.

The Place of Nursing Theory in the Management of Post-Operative Infections in a Hospital Environment: Case of Cibitoke District Hospital

Introduction: Post-operative infections, such as surgical site infections (SSIs), are a significant concern in healthcare settings. Nurses play a crucial role in the prevention and management of these infections. The use of nursing theory could contribute to the prevention of SSIs. The aim of this study was to evaluate the role of nursing theory in the management of surgical site infections (SSIs) in a hospital environment. Method: A cross-sectional study was conducted using descriptive and analytical methods to assess the role of nursing theory in the management of Post-operative infections (POI) in a hospital setting in October 2023. The study population consisted of nurses working in the Surgery, Emergency, and Maternity units at Cibitoke District Hospital. A sample size of 71 nurses working full or part time in the Surgery were invited to participate in this study. A questionnaire was used to collect the data, and SPSS version 21.0 software was used for analysis. Results: The study found that nursing theory did not have any statistically significant place in the management of POI (p-value = 0.523). However, the results showed that experience was the only significant factor influencing the management of POI (p-value = 0.004). This is explained by the analysis of the net effects of the explanatory variable where we noticed that those who had more experience were more likely to manage post-operative infections. The participants’ knowledge regarding nursing theory in the management was poor as they scored less than 30% in all the variables used to measure their knowledge. Conclusion: The study revealed that nurses’ knowledge of nursing theories and their applications in the management of SSIs was poor. Continuing professional development, curriculum review, and in-service training were highly recommended.

Life Review the Impact of Combined Watson Care Theory Intervention on Psychological Status and Quality of Life in Patients with Terminal Lung Cancer

Objective: To analyze the impact of combined Watson care theory intervention on the psychological state and quality of life in patients with terminal lung cancer. Methods: 72 patients with terminal lung cancer admitted from March 2021 to January 2024 were selected, which were divided into research group (life review combined with Watson care theory intervention) and control group (conventional intervention), with 36 cases each. Compare the nursing effect between the two groups. Results: The anxiety self-rating scale (SAS) and depression self-rating scale (SDS) scores were significantly lower than those of the control group, and the quality of life score was significantly higher than that of the control group (P < 0.05). Conclusion: Life review combined with Watson care theory intervention can improve the psychological state and improve the quality of life of patients with terminal lung cancer.

Island biogeography theory and the habitat heterogeneity jointly explain global patterns of Rhododendron diversity

Mountain biodiversity is of great importance to biogeography and ecology.However,it is unclear what ecological and evolutionary processes best explain the generation and maintenance of its high levels of species diversity.In this study,we determined which of six common hypotheses(e.g.,climate hypotheses,habitat heterogeneity hypothesis and island biogeography theory)best explain global patterns of species diversity in Rhododendron.We found that Rhododendron diversity patterns were most strongly explained by proxies of island biogeography theory(i.e.,mountain area)and habitat heterogeneity(i.e.,elevation range).When we examined other relationships important to island biogeography theory,we found that the planimetric area and the volume of mountains were positively correlated with the Rhododendron diversity,whereas the‘mountains-to-mainland’distance was negatively correlated with Rhododendron diversity and shared species.Our findings demonstrate that Rhododendron diversity can be explained by island biogeography theory and habitat heterogeneity,and mountains can be regarded as islands which supported island biogeography theory.

Timing theory integrated nursing combined behavior change integrated theory of nursing on primiparous influence

BACKGROUND The comprehension and utilization of timing theory and behavior change can offer a more extensive and individualized provision of support and treatment alternatives for primipara.This has the potential to enhance the psychological well-being and overall quality of life for primipara,while also furnishing healthcare providers with efficacious interventions to tackle the psychological and physiological obstacles encountered during the stages of pregnancy and postpartum.AIM To explore the effect of timing theory combined with behavior change on selfefficacy,negative emotions and quality of life in patients with primipara.METHODS A total of 80 primipara cases were selected and admitted to our hospital between August 2020 and May 2022.These cases were divided into two groups,namely the observation group and the control group,with 40 cases in each group.The nursing interventions differed between the two groups,with the control group receiving routine nursing and the observation group receiving integrated nursing based on the timing theory and behavior change.The study aimed to compare the pre-and post-nursing scores of Chinese Perceived Stress Scale(CPSS),Edinburgh Postpartum Depression Scale(EPDS),Self-rating Anxiety Scale(SAS),breast milk knowledge,self-efficacy,and SF-36 quality of life in both groups.RESULTS After nursing,the CPSS,EPDS,and SAS scores of the two groups was significantly lower than that before nursing,and the CPSS,EPDS,and SAS scores of the observation group was significantly lower than that of the control group(P=0.002,P=0.011,and P=0.001 respectively).After nursing,the breastfeeding knowledge mastery,selfefficacy,and SF-36 quality of life scores was significantly higher than that before nursing,and the breastfeeding knowledge mastery(P=0.013),self-efficacy(P=0.008),and SF-36 quality of life(P=0.011)scores of the observation group was significantly higher than that of the control group.CONCLUSION The integration of timing theory and behavior change integrated theory has been found to be an effective approach in alleviating negative mood and stress experienced by primipara individuals,while also enhancing their selfefficacy and overall quality of life.This study focuses on the key concepts of timing theory,behavior change,primipara individuals,negative mood,and quality of life.

Numerical Simulation of the Settling Flux of Biodeposition in a Bay with Cage Culture Through Similarity Theory and a Simplified Pollution Source

The settling flux of biodeposition affects the environmental quality of cage culture areas and determines their environmental carrying capacity.Simple and effective simulation of the settling flux of biodeposition is extremely important for determining the spatial distribution of biodeposition.Theoretically,biodeposition in cage culture areas without specific emission rules can be simplified as point source pollution.Fluent is a fluid simulation software that can simulate the dispersion of particulate matter simply and efficiently.Based on the simplification of pollution sources and bays,the settling flux of biodeposition can be easily and effectively simulated by Fluent fluid software.In the present work,the feasibility of this method was evaluated by simulation of the settling flux of biodeposition in Maniao Bay,Hainan Province,China,and 20 sampling sites were selected for determining the settling fluxes.At sampling sites P1,P2,P3,P4,P5,Z1,Z2,Z3,Z4,A1,A2,A3,A4,B1,B2,C1,C2,C3 and C4,the measured settling fluxes of biodeposition were 26.02,15.78,10.77,58.16,6.57,72.17,12.37,12.11,106.64,150.96,22.59,11.41,18.03,7.90,19.23,7.06,11.84,5.19 and 2.57 g d^(−1)m^(−2),respectively.The simulated settling fluxes of biodeposition at the corresponding sites were 16.03,23.98,8.87,46.90,4.52,104.77,16.03,8.35,180.83,213.06,39.10,17.47,20.98,9.78,23.25,7.84,15.90,6.06 and 1.65 g d^(−1)m^(−2),respectively.There was a positive correlation between the simulated settling fluxes and measured ones(R=0.94,P=2.22×10^(−9)<0.05),which implies that the spatial differentiation of biodeposition flux was well simulated.Moreover,the posterior difference ratio of the simulation was 0.38,and the small error probability was 0.94,which means that the simulated results reached an acceptable level from the perspective of relative error.Thus,if nonpoint source pollution is simplified to point source pollution and open waters are simplified based on similarity theory,the setting flux of biodeposition in the open waters can be simply and effectively simulated by the fluid simulation software Fluent.

Development of a DFN-based probabilistic block theory approach for bench face angle design in open pit mining

In open pit mining,uncontrolled block instabilities have serious social,economic and regulatory consequences,such as casualties,disruption of operation and increased regulation difficulties.For this reason,bench face angle,as one of the controlling parameters associated with block instabilities,should be carefully designed for sustainable mining.This study introduces a discrete fracture network(DFN)-based probabilistic block theory approach for the fast design of the bench face angle.A major advantage is the explicit incorporation of discontinuity size and spatial distribution in the procedure of key blocks testing.The proposed approach was applied to a granite mine in China.First,DFN models were generated from a multi-step modeling procedure to simulate the complex structural characteristics of pit slopes.Then,a modified key blocks searching method was applied to the slope faces modeled,and a cumulative probability of failure was obtained for each sector.Finally,a bench face angle was determined commensurate with an acceptable risk level of stability.The simulation results have shown that the number of hazardous traces exposed on the slope face can be significantly reduced when the suggested bench face angle is adopted,indicating an extremely low risk of uncontrolled block instabilities.

A Comparative Study of Chinese Translations of Tagore’s Stray Birds From the Perspective of the“Three Beauties Theory”

For more than 60 years,Mr.Xu Yuanchong has been devoted to education.He has not only made remarkable achievements in translating from and into Chinese,English,French and other languages,but has also developed his own unique concept of translation.Since 1950,he has always adhered to the“Three Beauties Theory”,believing that translation should not only rely on the original text,but also realize the“beauty of meaning”,“beauty of sound”,and“beauty of form”.Based on Xu Yuanchong’s“Three Beauties Theory”,this paper takes Zheng Zhenduo’s and Feng Tang’s Chinese translations of Stray Birds as an example to explore in depth the specifics of poetry translation theory.The study summarizes the similarities and differences between these two translations in embodying the“three beauties”,providing insights into the Chinese translation techniques of philosophical prose poems.This endeavor seeks to offer valuable insights for the comparative study of Stray Birds translations。

Integration of Ideological and Political Education into the Probability Theory and Mathematical Statistics Course:A Teaching Design Based on Estimation and Hypothesis Testing

With the rapid development of higher education in China,colleges and universities are facing new challenges and impacts in talent training.Probability Theory and Mathematical Statistics is one of the important courses in higher education for science and engineering majors and economics and management majors.Its critical role in cultivating students’thinking skills and improving their problem-solving skills is self-evident.Course ideological and political education construction is an important link in college talent training work.Combining ideological and political education with course teaching can help students establish correct value concepts and play a certain role in improving their comprehensive ability and quality.At present,the construction of ideological and political education in the Probability Theory and Mathematical Statistics course still faces some problems,mainly manifested in the lack of attention paid by teachers to course ideological and political education,insufficient exploitation of ideological and political elements,and the simplification of ideological and political education implementation methods.In order to comprehensively deepen the construction of course ideological and political education in line with the actual needs of Probability Theory and Mathematical Statistics course teaching,we should strengthen the construction of teacher teams,improve teachers’ability to carry out course ideological and political education,integrate educational resources,develop educational resources for ideological and political education,and innovate teaching methods to improve the overall effect of ideological and political education integration.

Discussion on Traditional Chinese Medicine Treatment of Liver-Depression-Spleen-Deficiency Type Insomnia Based on the State-Target Theory and the Regulation of Microbiome-Gut-Brain Axis

Insomnia has become an urgent clinical problem in modern society.Current research has found that the gut flora-gut-brain axis plays an important role in regulating insomnia.The state-target theory is a product of the combination of traditional Chinese medicine and modern molecular biology technology.This paper clarifies the correlation between the state-target theory,the intestinal flora-gut-brain axis,and liver-depression-spleen-deficiency insomnia.The use of traditional Chinese medicine to regulate the structure and abundance of intestinal flora was also explored,aiming to integrate traditional Chinese medicine with Western medicine for the prevention and treatment of liver-depression-spleen-deficiency insomnia.

铸态下Sn-Bi二元共晶焊料合金的组织特征及其力学性能

研究了四种不同Bi含量(45%、50%、55%、60%)的Sn-Bi二元共晶合金自由凝固下的组织特征和力学性能,探讨了Sn-Bi二元共晶合金的晶体生长机制以及Bi元素含量对合金显微组织的影响。结果表明:Sn-Bi二元亚共晶合金铸态下的金相组织为初生Sn固溶体相和Sn/Bi共晶层片集群构成,随着Bi含量的增加,呈树枝晶形态生长的初生Sn相数量减少,形态长大。初生Sn固溶体相内部脱溶析出大量的杆状或点状Bi相,形成杆状共晶结构;Sn-Bi二元过共晶合金铸态下的金相组织为初生Bi相和Sn/Bi共晶层片集群构成,初生Bi相中基本不固溶Sn元素,呈小平面方式生长,并在在初生Bi相周围包裹生长一层Sn晕圈相。在室温下,Sn-Bi二元共晶合金的硬度和强度随着Bi含量的增加而上升,延伸率随着Bi含量的增加先上升后下降。

基于不同Bi2WO6形貌下光催化降解四环素性能研究

该文以Bi(NO3)3·5H2O和Na2WO4·2H2O为原料通过水热法合成Bi2WO6,重点研究通过改变水合加热时间和溶液酸碱性,不同合成条件对Bi2WO6产物形貌的影响.借助扫描电子显微镜(SEM)对Bi2WO6形貌进行分析.实验结果显示,溶液酸碱性和加热时间均对Bi2WO6的形貌有较大影响,水合加热时间也对其形貌有很大的影响.此外,通过在可见光下降解四环素(TC),探讨了不同合成条件对催化剂性能的影响.实验结果表明,酸碱性会破坏Bi2WO6的结构,进而降低其光催化性能.当水合加热时间为25 h时,Bi2WO6的降解效率最高,降解效果约为50%.

放电等离子体烧结BaTiO_(3-x)Bi(Ni_(0.5)Zr_(0.5))O_(3)陶瓷的介电和阻抗性能

采用传统固相反应法合成BaTiO_(3-x)Bi(Ni_(0.5)Zr_(0.5))O_(3)粉体和放电等离子体烧结技术制备BaTiO_(3-x)Bi(Ni_(0.5)Zr_(0.5))O_(3)陶瓷,研究陶瓷的晶体结构、微观形貌、介电和阻抗性能。结果表明:BaTiO_(3)-0.10Bi(Ni_(0.5)Zr_(0.5))O_(3)陶瓷具有钙钛矿型,晶体结构为赝立方相,晶粒尺寸约为0.64μm,密度为5.81 g/cm^(3),最大介电常数为7149,且随频率升高相变温度向高温移动。在1 kHz下,BaTiO_(3)-0.10Bi(Ni_(0.5)Zr_(0.5))O_(3)陶瓷的ln(1/ε-1/ε_(m))与ln(T-T_(m))的拟合曲线斜率为1.61,在-41~169℃内,Δε/ε_(25℃)≤±15%,表明样品有良好的温度稳定性。此外,随温度和频率的升高,材料的阻抗降低,在50℃下,当频率为100 Hz时,电阻为2.33×10~6Ω,离子电导率为10^(-8)S/cm。

Mg-Bi系合金的研究进展

合金元素Bi的价格较低,在镁中有较高的固溶度,随着温度降低,其固溶度减小,析出Mg_(3)Bi_(2)相,提高了镁的力学性能,因此Mg-Bi系合金具有良好的固溶和时效硬化潜力。在Mg-Bi系合金中加入Sn、Mn、Al、Ca、Zn等元素,改善合金组织,能够进一步提高合金的力学性能及耐腐蚀性。文中介绍了国内外学者对Mg-Bi系合金的研究进展,在总结Mg-Bi二元合金研究成果基础上,系统的概述了Mg-Bi-Sn系、Mg-Bi-Mn系、Mg-Bi-Al系、Mg-Bi-Ca系、Mg-Bi-Zn系等合金的组织和性能,综述了合金化对合金第二相、晶粒尺寸、织构、动态再结晶的影响,阐述了合金元素种类、添加量及热加工参数与合金力学性能的关系。总结了Mg-Bi系合金研究中存在的问题,并对今后的研究工作进行了展望。

Bi-SnO_(2)电催化膜的制备及对饮用水中卡马西平的强化去除

以家用净水器活性炭滤芯为支撑体(Carbon membrane,CM),通过电沉积法制备Bi-SnO_(2)电催化膜(Bi-SnO_(2)/CM),通过电催化强化降解饮用水中的PPCPs.采用SEM、EDS、XRD分别对CM、SnO_(2)/CM和Bi-SnO_(2)/CM进行了结构表征,并利用Tafel、CV、EIS方法对3种膜的析氧电势、比电容和电化学阻抗等电化学特性进行表征,并选取卡马西平(Carbamazepine,CBZ)作为PPCPs代表物进行电催化效能试验研究.结果表明:采用电沉积-水热方法制备的Bi-SnO_(2)纳米颗粒的粒径尺寸约为27.2nm,可以很好地负载到活性炭滤芯表面,并制备出电化学性能优异的电催化膜,相比基膜其Tafel斜率由31.09mV/dec增至80.22mV/dec,电化学阻抗由1.03Ωcm^(2)降低为0.37Ωcm^(2),比电容也由0.689F/g增至2.635F/g.最终通过实验验证了其对卡马西平的降解效果,在静态循环实验中,Bi-SnO_(2)/CM对CBZ的去除率30min可达到97.3%,在运行1h后矿化率为59.2%,耗能为123.87kW·h/kgTOC,ΔTMP为0.177kPa.在连续运行时,Bi-SnO_(2)/CM对CBZ的去除率达93.7%,在运行1h后矿化率为35.2%,耗能为208.33kW·h/kgTOC,ΔTMP为0.613kPa.说明Bi-SnO_(2)/CM电催化膜具有良好的导电性、电催化活性和稳定性,同时对CBZ具有较好的去除效果.

基于CNN-BiGRU-Attention的短期电力负荷预测

针对目前电力负荷数据随机性强,影响因素复杂,传统单一预测模型精度低的问题,结合卷积神经网络(Convolutional neural network,CNN)、双向门控循环单元(Bi-directional gated recurrent unit,BiGRU)以及注意力机制(Attention)在短期电力负荷预测上的不同优点,提出一种基于CNN-BiGRU-Attention的混合预测模型。该方法首先通过CNN对历史负荷和气象数据进行初步特征提取,然后利用BiGRU进一步挖掘特征数据间时序关联,再引入注意力机制,对BiGRU输出状态给与不同权重,强化关键特征,最后完成负荷预测。试验结果表明,该模型的平均绝对百分比误差(Mean absolute percentage error,MAPE)、均方根误差(Root mean square error,RMSE)、判定系数(R-square,R~2)分别为0.167%、0.057%、0.993,三项指标明显优于其他模型,具有更高的预测精度和稳定性,验证了模型在短期负荷预测中的优势。

老年腹部手术患者BIS监测下异丙酚闭环与开环靶控输注模式的麻醉效果比较

目的探讨脑电双频指数(BIS)监测下异丙酚闭环与开环靶控输注在老年腹部手术患者中的麻醉效果。方法将76例老年腹部手术患者按照随机数字表法分为对照组38例[采用异丙酚开环靶控输注(OLTCI)]和研究组38例[采用异丙酚闭环靶控输注(CLTCI)]。比较两组患者的麻醉效果、麻醉药物使用情况、不同时间阶段血流动力学指标以及手术相关指标。结果在麻醉诱导阶段和麻醉维持阶段,研究组患者麻醉满意时间占比高于对照组,麻醉过深时间占比低于对照组,且麻醉维持阶段的麻醉过浅时间占比低于对照组(P<0.05或0.01)。研究组患者异丙酚诱导总量少于对照组,每小时泵调整次数多于对照组(P<0.01)。两组患者意识消失、插管即刻、插管后1 min时的心率(HR)均慢于麻醉诱导前,但研究组患者意识消失、插管即刻、插管后1 min时的HR均快于对照组(P<0.05或0.01)。研究组患者诱导阶段各时期的平均动脉压(MAP)水平无明显变化(P>0.05)。对照组患者意识消失、插管即刻、插管后1 min时的MAP水平均低于麻醉诱导前,且插管即刻、插管后1 min时的MAP水平低于研究组(P<0.05或0.01)。两组患者手术时间、麻醉时间、拔管时间、苏醒时间以及恶心、呕吐发生率等手术相关指标比较,差异无统计学意义(P>0.05)。结论对老年腹部手术患者行BIS监测下异丙酚CLTCI时,可按照BIS的数值及时调整异丙酚用量,避免了血流动力学指标的大幅度波动,可减少麻醉药物的用量,值得临床大力推广。