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Higher-order topological Anderson insulator on the Sierpiński lattice
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作者 陈焕 刘峥嵘 +1 位作者 陈锐 周斌 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期218-222,共5页
Disorder effects on topological materials in integer dimensions have been extensively explored in recent years. However, its influence on topological systems in fractional dimensions remains unclear. Here, we investig... Disorder effects on topological materials in integer dimensions have been extensively explored in recent years. However, its influence on topological systems in fractional dimensions remains unclear. Here, we investigate the disorder effects on a fractal system constructed on the Sierpiński lattice in fractional dimensions. The system supports the second-order topological insulator phase characterized by a quantized quadrupole moment and the normal insulator phase. We find that the second-order topological insulator phase on the Sierpiński lattice is robust against weak disorder but suppressed by strong disorder. Most interestingly, we find that disorder can transform the normal insulator phase to the second-order topological insulator phase with an emergent quantized quadrupole moment. Finally, the disorder-induced phase is further confirmed by calculating the energy spectrum and the corresponding probability distributions. 展开更多
关键词 fractal system topological insulator
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Dialectical Thermodynamics’Solution to the Conceptual Imbroglio That Is the Reversible Path
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作者 José C. Íñiguez 《Journal of High Energy Physics, Gravitation and Cosmology》 CAS 2024年第2期775-799,共25页
According to the second law of thermodynamics, as currently understood, any given transit of a system along the reversible path proceeds with a total entropy change equal to zero. The fact that this condition is also ... According to the second law of thermodynamics, as currently understood, any given transit of a system along the reversible path proceeds with a total entropy change equal to zero. The fact that this condition is also the identifier of thermodynamic equilibrium, makes each and every point along the reversible path a state of equilibrium, and the reversible path, as expressed by a noted thermodynamic author, “a dense succession of equilibrium states”. The difficulties with these notions are plural. The fact, for example, that systems need to be forced out of equilibrium via the expenditure of work, would make any spontaneous reversible process a consumer of work, this in opposition to common thermodynamic wisdom that makes spontaneous reversible processes the most efficient transformers of work-producing-potential into actual work. The solution to this and other related impasses is provided by Dialectical Thermodynamics via its previously proved notion assigning a negative entropy change to the energy upgrading process represented by the transformation of heat into work. The said solution is here exemplified with the ideal-gas phase isomerization of butane into isobutane. 展开更多
关键词 Thermodynamic Reversibility Solution to Inconsistencies Dialectical thermodynamics
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Ultrafast dynamics in photo-excited Mott insulator Sr_(3)Ir_(2)O_7 at high pressure
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作者 尹霞 张建波 +6 位作者 王东 Takeshi Nakagawa 夏春生 张曹顺 郭伟程 昌峻 丁阳 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期149-155,共7页
High-pressure ultrafast dynamics,as a new crossed research direction,are sensitive to subtle non-equilibrium state changes that might be unresolved by equilibrium states measurements,providing crucial information for ... High-pressure ultrafast dynamics,as a new crossed research direction,are sensitive to subtle non-equilibrium state changes that might be unresolved by equilibrium states measurements,providing crucial information for studying delicate phase transitions caused by complex interactions in Mott insulators.With time-resolved transient reflectivity measurements,we identified the new phases in the spin–orbit Mott insulator Sr_(3)Ir_(2)O_7 at 300 K that was previously unidentified using conventional approaches such as x-ray diffraction.Significant pressure-dependent variation of the amplitude and lifetime obtained by fitting the reflectivity?R/R reveal the changes of electronic structure caused by lattice distortions,and reflect the critical phenomena of phase transitions.Our findings demonstrate the importance of ultrafast nonequilibrium dynamics under extreme conditions for understanding the phase transition of Mott insulators. 展开更多
关键词 ultrafast dynamics high pressure phase transition Mott insulator
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A thermodynamics-consistent spatiotemporally-nonlocal model for microstructure-dependent heat conduction
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作者 Yu ZHANG Daming NIE +1 位作者 Xuyao MAO Li LI 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2024年第11期1929-1948,共20页
The spatiotemporally-nonlocal phenomena in heat conduction become significant but challenging for metamaterials with artificial microstructures.However,the microstructure-dependent heat conduction phenomena are captur... The spatiotemporally-nonlocal phenomena in heat conduction become significant but challenging for metamaterials with artificial microstructures.However,the microstructure-dependent heat conduction phenomena are captured under the hypothesis of spatiotemporally local equilibrium.To capture the microstructure-dependent heat conduction phenomena,a generalized nonlocal irreversible thermodynamics is proposed by removing both the temporally-local and spatially-local equilibrium hypotheses from the classical irreversible thermodynamics.The generalized nonlocal irreversible thermodynamics has intrinsic length and time parameters and thus can provide a thermodynamics basis for the spatiotemporally-nonlocal law of heat conduction.To remove the temporallylocal equilibrium hypothesis,the generalized entropy is assumed to depend not only on the internal energy but also on its first-order and high-order time derivatives.To remove the spatially local equilibrium hypothesis,the thermodynamics flux field in the dissipation function is assumed to relate not only to the thermodynamics force at the reference point but also to the thermodynamics force of the neighboring points.With the developed theoretical framework,the thermodynamics-consistent spatiotemporally-nonlocal models can then be developed for heat transfer problems.Two examples are provided to illustrate the applications of steady-state and transient heat conduction problems. 展开更多
关键词 NONLOCALITY spatiotemporal nonlocality irreversible thermodynamics heat transfer METAMATERIAL
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Data augmentation method for insulators based on Cycle-GAN
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作者 Run Ye Azzedine Boukerche +3 位作者 Xiao-Song Yu Cheng Zhang Bin Yan Xiao-Jia Zhou 《Journal of Electronic Science and Technology》 EI CAS CSCD 2024年第2期36-47,共12页
Data augmentation is an important task of using existing data to expand data sets.Using generative countermeasure network technology to realize data augmentation has the advantages of high-quality generated samples,si... Data augmentation is an important task of using existing data to expand data sets.Using generative countermeasure network technology to realize data augmentation has the advantages of high-quality generated samples,simple training,and fewer restrictions on the number of generated samples.However,in the field of transmission line insulator images,the freely synthesized samples are prone to produce fuzzy backgrounds and disordered samples of the main insulator features.To solve the above problems,this paper uses the cycle generative adversarial network(Cycle-GAN)used for domain conversion in the generation countermeasure network as the initial framework and uses the self-attention mechanism and channel attention mechanism to assist the conversion to realize the mutual conversion of different insulator samples.The attention module with prior knowledge is used to build the generation countermeasure network,and the generative adversarial network(GAN)model with local controllable generation is built to realize the directional generation of insulator belt defect samples.The experimental results show that the samples obtained by this method are improved in a number of quality indicators,and the quality effect of the samples obtained is excellent,which has a reference value for the data expansion of insulator images. 展开更多
关键词 Data expansion Deep learning Generate confrontation network insulator
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Optical study of magnetic topological insulator MnBi_(4)Te_7
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作者 廖知裕 沈冰 +1 位作者 邱祥冈 许兵 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期231-235,共5页
We present an infrared spectroscopy study of the magnetic topological insulator MnBi_(4)Te_7 with antiferromagnetic(AFM) order below the Neel temperature TN= 13 K. Our investigation reveals that the low-frequency opti... We present an infrared spectroscopy study of the magnetic topological insulator MnBi_(4)Te_7 with antiferromagnetic(AFM) order below the Neel temperature TN= 13 K. Our investigation reveals that the low-frequency optical conductivity consists of two Drude peaks, indicating a response of free carriers involving multiple bands. Interestingly, the narrow Drude peak grows strongly as the temperature decreases, while the broad Drude peak remains relatively unchanged. The onset of interband transitions starts around 2000 cm^(-1), followed by two prominent absorption peaks around 10000 cm^(-1) and 20000 cm^(-1). Upon cooling, there is a notable transfer of spectral weight from the interband transitions to the Drude response. Below TN, the AFM transition gives rise to small anomalies of the charge response due to a band reconstruction.These findings provide valuable insights into the interplay between magnetism and the electronic properties in MnBi_(4)Te_7. 展开更多
关键词 infrared spectroscopy magnetic topological insulator Drude model band reconstruction
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Three-dimensional topological crystalline insulator without spin-orbit coupling in nonsymmorphic photonic metacrystal
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作者 Zhide Yu Lingbo Xia 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第10期282-286,共5页
By including certain point group symmetry in the classification of band topology,Fu proposed a class of threedimensionaltopological crystalline insulators(TCIs)without spin-orbit coupling in 2011.In Fu’s model,surfac... By including certain point group symmetry in the classification of band topology,Fu proposed a class of threedimensionaltopological crystalline insulators(TCIs)without spin-orbit coupling in 2011.In Fu’s model,surface states(ifpresent)doubly degenerate atГandM when time-reversal and C_(4) symmetries are preserved.The analogs of Fu’s modelwith surface states quadratically degenerate atM are widely studied,while surface states with quadratic degeneracy atГare rarely reported.In this study,we propose a three-dimensional TCI without spin-orbit coupling in a judiciously designednonsymmorphic photonic metacrystal.The surface states of photonic TCIs exhibit quadratic band degeneracy in the(001)surface Brillouin zone(BZ)center(Гpoint).The gapless surface states and their quadratic dispersion are protected by C4and time-reversal symmetries,which correspond to the nontrivial band topology characterized by Z_(2)topological invariant.Moreover,the surface states along lines fromГto the(001)surface BZ boundary exhibit zigzag feature,which is interpretedfrom symmetry perspective by building composite operators constructed by the product of glide symmetries with timereversalsymmetry.The metacrystal array surrounded with air possesses high order hinge states with electric fields highlylocalized at the hinge that may apply to optical sensors.The gapless surface states and hinge states reside in a cleanfrequency bandgap.The topological surface states emerge at the boundary of the metacrystal and perfect electric conductor(PEC),which provide a pathway for topologically manipulating light propagation in photonic devices. 展开更多
关键词 topological crystalline insulator nonsymmorphic photonic metacrystal
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Improving hydrogen storage thermodynamics and kinetics of Ce-Mg-Ni-based alloy by mechanical milling with TiF_(3)
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作者 Hongwei Shang Wei Zhang +4 位作者 Xin Wei Yaqin Li Zeming Yuan Jun Li Yanghuan Zhang 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第4期1593-1607,共15页
Mg-based hydrides are too stable and the kinetics of hydrogen absorption and desorption is not satisfactory.An efficient way to improve these shortcomings is to employ reactive ball milling to synthesize the nanocompo... Mg-based hydrides are too stable and the kinetics of hydrogen absorption and desorption is not satisfactory.An efficient way to improve these shortcomings is to employ reactive ball milling to synthesize the nanocomposite materials of Mg and additives.In this experiment,TiF_(3)was selected as an additive,and the mechanical milling method was employed to prepare the experimental alloys.The alloys used in this experiment were the as-cast Ce_(5)Mg_(85)Ni_(10),as-milled Ce_(5)Mg_(85)Ni_(10)and Ce_(5)Mg_(85)Ni_(10)+3 wt.%TiF3.The phase transformation,structural evolution,isothermal and non-isothermal hydrogenation and dehydrogenation performances of the alloys were inspected by XRD,SEM,TEM,Sievert apparatus,DSC and TGA.It revealed that nanocrystalline appeared in the as-milled samples.Compared with the as-cast alloy,ball milling made the particle dimension and grain size decrease dramatically and the defect density increase significantly.The addition of TiF_(3)made the surface of ball milling alloy particles markedly coarser and more irregular.Ball milling and adding TiF_(3)distinctly improved the activation and kinetics of the alloys.Moreover,ball milling along with TiF_(3)can decrease the onset dehydrogenation temperature of Mg-based hydrides and slightly ameliorate their thermodynamics. 展开更多
关键词 Mg-based hydrides TiF_(3) Ball milling thermodynamics KINETICS
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A Simple and Effective Surface Defect Detection Method of Power Line Insulators for Difficult Small Objects
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作者 Xiao Lu Chengling Jiang +2 位作者 Zhoujun Ma Haitao Li Yuexin Liu 《Computers, Materials & Continua》 SCIE EI 2024年第4期373-390,共18页
Insulator defect detection plays a vital role in maintaining the secure operation of power systems.To address the issues of the difficulty of detecting small objects and missing objects due to the small scale,variable... Insulator defect detection plays a vital role in maintaining the secure operation of power systems.To address the issues of the difficulty of detecting small objects and missing objects due to the small scale,variable scale,and fuzzy edge morphology of insulator defects,we construct an insulator dataset with 1600 samples containing flashovers and breakages.Then a simple and effective surface defect detection method of power line insulators for difficult small objects is proposed.Firstly,a high-resolution featuremap is introduced and a small object prediction layer is added so that the model can detect tiny objects.Secondly,a simplified adaptive spatial feature fusion(SASFF)module is introduced to perform cross-scale spatial fusion to improve adaptability to variable multi-scale features.Finally,we propose an enhanced deformable attention mechanism(EDAM)module.By integrating a gating activation function,the model is further inspired to learn a small number of critical sampling points near reference points.And the module can improve the perception of object morphology.The experimental results indicate that concerning the dataset of flashover and breakage defects,this method improves the performance of YOLOv5,YOLOv7,and YOLOv8.In practical application,it can simply and effectively improve the precision of power line insulator defect detection and reduce missing detection for difficult small objects. 展开更多
关键词 insulator defect detection small object power line deformable attention mechanism
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Thermodynamics in a quantum corrected Reissner-Nordstr?m-AdS black hole and its GUP-corrections
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作者 宋建君 刘成周 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第4期345-353,共9页
We calculate the thermodynamic quantities in the quantum corrected Reissner-Nordstr?m-AdS(RN-AdS)black hole,and examine their quantum corrections.By analyzing the mass and heat capacity,we give the critical state and ... We calculate the thermodynamic quantities in the quantum corrected Reissner-Nordstr?m-AdS(RN-AdS)black hole,and examine their quantum corrections.By analyzing the mass and heat capacity,we give the critical state and the remnant state,respectively,and discuss their consistency.Then,we investigate the quantum tunneling from the event horizon of massless scalar particle by using the null geodesic method,and charged massive boson W^(±)and fermions by using the Hamilton-Jacob method.It is shown that the same Hawking temperature can be obtained from these tunneling processes of different particles and methods.Next,by using the generalized uncertainty principle(GUP),we study the quantum corrections to the tunneling and the temperature.Then the logarithmic correction to the black hole entropy is obtained. 展开更多
关键词 black hole thermodynamics quantum corrections quantum tunneling generalized uncertainty principle
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Quantitative determination of the critical points of Mott metal–insulator transition in strongly correlated systems
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作者 牛月坤 倪煜 +4 位作者 王建利 陈雷鸣 邢晔 宋筠 冯世平 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期647-652,共6页
Mottness is at the heart of the essential physics in a strongly correlated system as many novel quantum phenomena occur in the metallic phase near the Mott metal–insulator transition. We investigate the Mott transiti... Mottness is at the heart of the essential physics in a strongly correlated system as many novel quantum phenomena occur in the metallic phase near the Mott metal–insulator transition. We investigate the Mott transition in a Hubbard model by using the dynamical mean-field theory and introduce the local quantum state fidelity to depict the Mott metal–insulator transition. The local quantum state fidelity provides a convenient approach to determining the critical point of the Mott transition. Additionally, it presents a consistent description of the two distinct forms of the Mott transition points. 展开更多
关键词 critical point metal–insulator transition local quantum state fidelity strongly correlated system quasiparticle coherent weight
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Heart failure with preserved ejection fraction and the first law of thermodynamics
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作者 Robert M Peters 《World Journal of Cardiology》 2024年第10期608-610,共3页
In heart failure with preserved ejection fraction,significant left ventricular diastolic abnormalities are present,despite a normal systolic ejection fraction.This article will consider whether this is consistent with... In heart failure with preserved ejection fraction,significant left ventricular diastolic abnormalities are present,despite a normal systolic ejection fraction.This article will consider whether this is consistent with the law of conservation of energy,also know as the first law of thermodynamics. 展开更多
关键词 Diastolic dysfunction Heart failure with preserved ejection fraction thermodynamics
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Two innovative equivalent statements of the third law of thermodynamics
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作者 陈晓航 周颖慧 陈金灿 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第6期324-328,共5页
It is found from textbooks and literature that there are three different statements for the third law of thermodynamics,i.e., the Nernst theorem, the unattainability statement of absolute zero temperature, and the hea... It is found from textbooks and literature that there are three different statements for the third law of thermodynamics,i.e., the Nernst theorem, the unattainability statement of absolute zero temperature, and the heat capacity statement. It is pointed out that such three statements correspond to three thermodynamic parameters, which are, respectively, the entropy,temperature, and heat capacity, and can be obtained by extrapolating the experimental results of different parameters at ultralow temperatures to absolute zero. It is expounded that because there is no need for additional assumptions in the derivation of the Nernst equation, the Nernst theorem should be renamed as the Nernst statement. Moreover, it is proved that both the Nernst statement and the heat capacity statement are mutually deducible and equivalent, while the unattainability of absolute zero temperature is only a corollary of the Nernst statement or the heat capacity statement so that it is unsuitably referred to as one statement of the third law of thermodynamics. The conclusion is that the Nernst statement and the heat capacity statement are two equivalent statements of the third law of thermodynamics. 展开更多
关键词 Nernst statement heat capacity statement Nernst theorem absolute zero temperature the third law of thermodynamics
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Elimination, Kinetics and Thermodynamics of Fe(II) Ions by Adsorption in Static and Dynamic Conditions on Activated Carbons in Aqueous Media
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作者 Spenseur Bouassa Mougnala Charly Mve Mfoumou +5 位作者 Berthy Lionel Mbouiti Pradel Tonda-Mikiela Francis Ngoye Ferdinand Evoung Evoung Jean Aubin Ondo Guy Raymond Feuya Tchouya 《Journal of Geoscience and Environment Protection》 2024年第10期181-203,共23页
This work investigated the removal, kinetics and thermodynamics of iron(II) ions (Fe(II)) by adsorption in static and dynamic conditions in aqueous media on activated carbons (AC-i30min, AC-i1h, and AC-i24h), prepared... This work investigated the removal, kinetics and thermodynamics of iron(II) ions (Fe(II)) by adsorption in static and dynamic conditions in aqueous media on activated carbons (AC-i30min, AC-i1h, and AC-i24h), prepared from palm nut shells collected in the city of Franceville to Gabon, using potassium hydroxide (KOH) as the activating agent. Results on the elimination of Fe(II) in static and dynamic adsorption on prepared activated carbons (ACs) showed that the AC-i24h adsorbent has the best Fe(II) adsorption capacities at saturation (Qsat). The Qsat obtained on AC-i24h in static and dynamic conditions (17.87 and 10.38 mg/g, respectively) were higher than those of AC-i30min (13.89 and 5.54 mg/g respectively) and AC-i1h (14.92 and 8.64 mg/g respectively). Moreover, the static adsorption was more effective in the removal of Fe(II) ions in aqueous media in our experimental conditions. The percentage removal (%E) of Fe(II) obtained on prepared activated carbons in static conditions was better than those obtained in dynamic conditions, especially on AC-i24h, where the %E was 89.27% in static and 61.56% in dynamic. In kinetics, results showed that the pseudo-second-order kinetic model best described the adsorption mechanisms of Fe(II) on prepared activated carbons in static adsorption, with mainly of chemisorption on the solid surfaces. However, in dynamic conditions, the pseudo-first-order kinetic model was more suitable. In addition to the weak interactions between Fe(II) and the activated carbon surfaces, strong interactions (chemisorption) were also observed. Also, thermodynamic data obtained on AC-i24h in static adsorption indicated that the adsorption of Fe(II) was spontaneous and increased with temperature (ΔG˚ H˚ = 503.54 KJ/mol). 展开更多
关键词 Palm Nut Shells Activated Carbon Removal FE(II) Static and Dynamic Adsorption KINETICS thermodynamics
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Thermodynamics-directed bulk/grain-boundary engineering for superior electrochemical durability of Ni-rich cathode
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作者 Kangyu Zou Mingzhu jiang +5 位作者 Tianxiang Ning Lei Tan Junchao Zheng Jiexi Wang Xiaobo Ji Lingjun Li 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第10期321-331,I0006,共12页
Introducing high-valence Ta element is an essential strategy for addressing the structu ral deterioration of the Ni-rich LiNi_(1-x-y)Co_(x)Mn_(y)O_(2)(NCM)cathode,but the enlarged Li/Ni cation mixing leads to the infe... Introducing high-valence Ta element is an essential strategy for addressing the structu ral deterioration of the Ni-rich LiNi_(1-x-y)Co_(x)Mn_(y)O_(2)(NCM)cathode,but the enlarged Li/Ni cation mixing leads to the inferior rate capability originating from the hindered Li~+migration.Note that the non-magnetic Ti~(4+)ion can suppress Li/Ni disorder by removing the magnetic frustration in the transition metal layer.However,it is still challenging to directionally design expected Ta/Ti dual-modification,resulting from the complexity of the elemental distribution and the uncertainty of in-situ formed coating compounds by introducing foreign elements.Herein,a LiTaO_3 grain boundary(GB)coating and bulk Ti-doping have been successfully achieved in LiNi_(0.834)Co_(0.11)Mn_(0.056)O_(2) cathode by thermodynamic guidance,in which the structural formation energy and interfacial binding energy are employed to predict the elemental diffusion discrepancy and thermodynamically stable coating compounds.Thanks to the coupling effect of strengthened structural/interfacial stability and improved Li~+diffusion kinetics by simultaneous bulk/GB engineering,the Ta/Ti-NCM cathode exhibits outstanding capacity retention,reaching 91.1%after 400 cycles at 1 C.This elaborate work contributes valuable insights into rational dual-modification engineering from a thermodynamic perspective for maximizing the electrochemical performances of NCM cathodes. 展开更多
关键词 Ni-rich layered cathode Dual-modification Grain boundary coating Bulk doping Thermodynamic perspective
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Confirmation of the First Law of Thermodynamics in Theory and Extended Bernoulli Equation
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作者 Chengshu Jin 《Journal of Applied Mathematics and Physics》 2023年第2期409-420,共12页
The internal energy change of ideal gas does not depend on the volume and pressure. The internal energy change of real gas has not any relation with the volume and pressure, which had been proved. If the internal ener... The internal energy change of ideal gas does not depend on the volume and pressure. The internal energy change of real gas has not any relation with the volume and pressure, which had been proved. If the internal energy change had not any relation with the volume and pressure, we could confirm the first law of thermodynamics in theory. Simultaneously, the internal energy change is the state function that shall be able to be proved in theory. If the internal energy change depended on the volume and pressure, we could not prove that the internal energy change is the state function and the chemical thermodynamics theory is right. The extended or modified Bernoulli equation can be derived from the energy conservation law, and the internal energy change, heat, and friction are all considered in the derivation procedure. The extended Bernoulli equation could be applied to the flying aircraft and mechanical motion on the gravitational field, for instance, the rocket and airplane and so on. This paper also revises some wrong ideas, viewpoints, or concepts about the thermodynamics theory and Bernoulli equation. 展开更多
关键词 First Law of thermodynamics Chemical thermodynamics Bernoulli Equation Static Pressure Head FRICTION
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Removal of Organochlorine from Model Oil Using Mg-Modified ZSM-5 Zeolite:Dechlorination Performance,Regeneration,and Thermodynamics 被引量:2
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作者 Cheng Xingyuan Gu Jie +4 位作者 Huang Bingtian Bing Liancheng Han Dezhi Wang Guangjian Wang Fang 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS CSCD 2023年第2期24-32,共9页
Various metal-modified ZSM-5 zeolite adsorbents prepared by the impregnation method were applied to the removal of organic chlorides from model naphtha.The adsorption performance and regeneration stability were invest... Various metal-modified ZSM-5 zeolite adsorbents prepared by the impregnation method were applied to the removal of organic chlorides from model naphtha.The adsorption performance and regeneration stability were investigated by static adsorption experiments.The morphologies,structural features,and physicochemical properties of the adsorbents were characterized by X-ray diffraction,Brunauer-Emmett-Teller analysis,NH3 temperature-programmed desorption,scanning electron microscopy,transmission electron microscopy,and pyridine adsorption infrared spectroscopy.The Mg/ZSM-5 zeolite adsorbent possessed a relatively high specific surface area and good metal dispersion and exhibited the best dechlorination and regeneration performance.The characterization results revealed that introduction of the metal exerted a significant influence on the acidic properties of the catalyst surface.A decrease in the ratio of Brønsted acidic sites to Lewis acidic sites and an increase in the amount of moderately acidic sites were confirmed to be responsible for the excellent adsorption performance of the Mg-modified ZSM-5 zeolite.Furthermore,the Langmuir adsorption isotherm model was applied to study the adsorption equilibrium and thermodynamics of the Mg/ZSM-5 adsorbent under mild conditions.The results revealed that the removal of 1,2-dichloroethane by the Mg/ZSM-5 adsorbent was endothermic,spontaneous,disordered,and primarily involved physical adsorption. 展开更多
关键词 adsorption dechlorination ZSM-5 zeolite metal modification thermodynamics
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A Computational Study of Microhydrated N-Acetyl-Phenylalaninylamide (NAPA): Kinetics and Thermodynamics
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作者 Mohammad Alauddin Mohammad Masud Parvez Mohammad Abdul Matin 《Computational Molecular Bioscience》 2023年第4期63-74,共12页
The formations of [NAPA-A(H<sub>2</sub>O)<sub>n</sub> (n = 1, 2, 3, 4)] complexes have been studied employing DFT/wB97XD/cc-pVTZ computational level to understand the kinetics and thermodynamic... The formations of [NAPA-A(H<sub>2</sub>O)<sub>n</sub> (n = 1, 2, 3, 4)] complexes have been studied employing DFT/wB97XD/cc-pVTZ computational level to understand the kinetics and thermodynamics for the hydration reactions of N-acetyl-phenylalaninylamide (NAPA). Thermodynamic parameters such as reaction energy (E), enthalpy (H), Gibb’s free energy (G), specific heat capacity (C<sub>v</sub>), entropy (S), and change of these parameters (ΔE<sub>r</sub>, ΔH<sub>r</sub>, ΔGr, ΔC<sub>r</sub>, and ΔS<sub>r</sub>) were studied using the explicit solvent model. The predicted values of H, G, C, and S increase with the sequential addition of water in NAPA-A due to the increase in the total number of vibrational modes. On the other hand, the value of ΔE<sub>r</sub>, ΔH<sub>r</sub>, and ΔG<sub>r</sub> increases (more negative to less negative) gradually for n = 1, 2, 3, and 4 that indicates an increase of hydration in NAPA-A makes exothermic to endothermic reactions. The barrier heights for the transition states (TS) of [NAPA-A(H<sub>2</sub>O)<sub>n</sub> (n = 1, 2, 3, 4)] complexes are predicted to lie at 4.41, 4.05, 3.72 and 2.26 kcal/mol respectively below the reactants. According to the calculations, the formations of [NAPA-A(H<sub>2</sub>O)<sub>1</sub>] and [NAPA-A(H<sub>2</sub>O)<sub>2</sub>] complexes are barrierless reactions because both water molecules are strongly bonded via two hydrogen bonds in the backbone of NAPA-A. On the contrary, the reactions of [NAPA-A(H<sub>2</sub>O)<sub>3</sub>] and [NAPA-A(H<sub>2</sub>O)<sub>4</sub>] complexation are endothermic and the barrier heights are predicted to stay at 6.30 and 10.54 kcal/mol respectively above the reactants. The free energy of activation (Δ<sup>‡</sup>G<sup>0</sup>) for the reaction of [NAPA-A(H<sub>2</sub>O)<sub>1</sub>], [NAPA-A(H<sub>2</sub>O)<sub>2</sub>], [NAPA-A(H<sub>2</sub>O)<sub>3</sub>], and [NAPA-A(H<sub>2</sub>O)<sub>4</sub>] complexation are 4.43, 4.28, 3.83 and 5.11 kcal/mol respectively which are very low. As well as the rates of reactions are 3.490 × 10<sup>9</sup> s<sup>-1</sup>, 4.514 × 10<sup>9</sup> s<sup>-1</sup>, 9.688 × 10<sup>9</sup> s<sup>-1</sup>, and 1.108 × 10<sup>9</sup> s<sup>-1</sup> respectively which are very fast and spontaneous. 展开更多
关键词 Microhydration DFT Transition States KINETICS thermodynamics
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Thermodynamics of warm axionic Abelian gauge inflation
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作者 李喜彬 武燕玲 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第11期671-680,共10页
Inflationary spectral index from the Langevin equation is calculated under the frame of warm inflationary scenario with inflaton interacting with U(1) gauge fields through the Chern–Simons coupling ∝ФF_(μv)F^(μv)... Inflationary spectral index from the Langevin equation is calculated under the frame of warm inflationary scenario with inflaton interacting with U(1) gauge fields through the Chern–Simons coupling ∝ФF_(μv)F^(μv). Under the strong dissipative condition, the spectral index is calculated in terms of the ratio of Hubble parameter to temperature H/T. Then relation between H/T and other cosmic parameters is analytically expressed, based on which a spectral index related to the Chern–Simons coupling strength is further obtained. Numerical results show that cosmic temperature T closes to a constant during inflation and decreases after inflation without a reheating process. Meanwhile, the ratio H/T tends to a constant if the gauged coupling constant is less than a threshold. This phenomenon shows that cosmic temperature may be an important physical parameter with a special value and adiabatic approximation still holds. We obtain the estimate H/T ≤ 0.3377 during inflation from Planck data and other constraint conditions. 展开更多
关键词 axion inflation thermodynamics
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Black Holes and the Third Law of Thermodynamics Revisited
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作者 Miguel Socolovsky 《Journal of High Energy Physics, Gravitation and Cosmology》 CAS 2023年第2期499-505,共7页
Black holes contradict the Nernst-Planck (N/P) version of the 3rd law of thermodynamics, but agree with its unattainability (U) version. This happens without contradiction, because the N/P and U versions are not equiv... Black holes contradict the Nernst-Planck (N/P) version of the 3rd law of thermodynamics, but agree with its unattainability (U) version. This happens without contradiction, because the N/P and U versions are not equivalent, namely, N/P implies U but U does not imply N/P. So, black holes obey the weaker version of the 3rd law, but not the stronger one. 展开更多
关键词 thermodynamics Third Law Black Holes
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