Effects of Fe solid solute on grain boundaries of bi-crystal Cu: A molecular dynamics simulation

Grain boundaries(GBs)play a crucial role on the structural stability and mechanical properties of Cu and its alloys.In this work,molecular dynamics(MD)simulations are employed to study the effects of Fe solutes on the formation energy,excess volume,dislocations and melting behaviors of GBs in CuFe alloys.It is illustrated that Fe solute affects the structural stability of Cu GBs substantially,the formation energy of GBs is reduced,but the thickness and melting point of GBs are increased,that is,the structural stability of Cu GBs is significantly improved owing to the Fe solutes.A strong scaling law exists between the formation energy,excess volume,thickness and melting point of GBs.Therefore,Fe solid solute plays an important role in the characteristics of GBs in bi-crystal Cu.

Inhomogeneity of Grain Boundaries of ZnO Varistor

The zinc oxide varistor with a low threshold voltage and large grain size was derived with ZnO crystalline seeds from a molten salt process The chemical composition and I-V characteristics of single grains and single grain boundaries were determined by means of energy dispersive spectrum (EDS) and microcontact measurement respectively. Temperatu re dependence of dielectric loss at various frequencies and voltage dependence of capacitance were carefully measured. Based on these experimental data. the barrier heights of giain boundaries are estimated to be 0.2. 0.5 and 0.6 eV respectively corresponding to thick, th in and direct contact grain boundaries. In addition. a computerized electrical circuit simufation is employed in simulating I-V characteristics of single grain boundary within ZnO varistor. By adjustjng parameters of resistor and diode, a general agreement between the measured data and simulated curves is achieved

Economic polarized trends,function and expanded boundaries of the Yangtze Delta Region

In the era of economic globalization,the concept of Economic Polarized Area comes into being as an effective vehicle to agglomerate the economic elements and sustain the economic lifeline of the region. Based on the region's specific development mode and construction form the concept is working in such a way that it will contribute to guide the economic development of the country and will play an important role in competing with other regions or countries in the world. Due to the high speed development of the last 30 years,the Yangtze Delta Region starts to show the features of Economic Polarized Area. But,compared with other world-class Economic Polarized Areas,the economic strength and the ability of the Yangtze Delta Region to drive the country's economic development is still very low and the competitive power is still very limited. Expanding the boundaries of the Economic Polarized Area of the Yangtze Delta may extend the economic hinterland of the core area of the Yangtze Delta Region,will lighten the pressures from the limited resource and promote the rationalization of the industrial structure in the Yangtze Delta Region's core area. With regard to the reasonable boundaries of the Yangtze Delta Region,there are different opinions and controversial arguments in political and academic circles. Starting from the idea of increasing the competitive power and improving the economic strength of the Yangtze Delta Region,the paper firstly is discussing the requirements to become a world-class Economic Polarized Area. In a second step an analysis of functional complementation and economic collaboration between the cities of an "extended" Yangtze Delta Region has been carried out by in particular considering the feasibility of integrating these "newly included" cities. The final result of the study is,that the Region should be expanded from the number of 16 cities to 37 cities,and the appended cities should be divided up into two categories:Wenzhou,Jinhua,Yancheng,Huaian,Maanshan,Wuhu,Tongling,Chaohu,Hefei,Chuzhou,Xuancheng should be taken as Preferred Extending Area,and Suqian,Xuzhou,Lianyungang,Lishui,Quzhou,Chizhou,Anqing,Bengbu,Huangshan,Suzhou (Anhui Province) should be taken as Retained Qualification Area.

Exploring Smart Growth Boundaries of Urban Agglomeration with Land Use Spatial Optimization:A Case Study of Changsha-Zhuzhou-Xiangtan City Group,China

Urban agglomeration is the main spatial organization mode used by the Chinese government to promote the policy of new urbanization strategy.Hence,a better understanding of the urban growth boundary(UGB)has profound theoretical and practical significance regarding sustainable urban development.This study devised a raster-based land use spatial optimization(LUSO)framework,and utilized ant colony optimization(ACO)algorithm to delimit the smart growth boundaries of the Changsha-Zhuzhou-Xiangtan city group(CZTCG)in China.The aim of this study is to design a LUSO model to explore an optimal pattern of urban agglomeration for sustainable growth.Multi growth scenario including a single development center,multipolar development and balanced development patterns are generated by the LUSO model for the year of 2050,and the optimum spatial pattern is chosen based on objectives comparison and the present stage of economic and social development in CZTCG.The main results are listed as the following.1)It is feasible to identify the growth boundaries of the urban agglomeration using the land use spatial optimization model,and the optimal form of the spatial pattern can be defined.2)With the growth trend of the urban agglomeration gradually spreads from a single center to multi-centers and even small towns,the total optimization target performance gradually increases,which means that the traditional pie-shaped development does not meet the maximum comprehensive benefit of the city group.3)Subject to the regional social and economic development stage,absolute fair development or simply developing the central city is not conducive to promoting the coordinated development of the urban agglomeration.Gradient equalization and gradual advancement are the best choice for UGB delineation of urban agglomeration.The findings of this study would be useful to identify the UGB in CZTCG for more sustainable urban development in the future.

Spatial Structure and Elements of Boundaries of Traditional“Shan-shui Cities”in the Sichuan Basin

The Sichuan Basin is endowed with unique natural and cultural conditions, which provide good conditions for the creation of traditional ＂shan-shui dries＂. As an important constituent dement of ＂shan-hui cities＂M, boundaries delimit cities and nature and determine the scope and scale of cities. This paper divides the boundaries into dty boundary, mountain boundary, water boundary and celestial horizon, which integrate with each other and embody the boundary feature of four in one.

Second-Order Adjoint Sensitivity Analysis Methodology for Computing Exactly Response Sensitivities to Uncertain Parameters and Boundaries of Linear Systems: Mathematical Framework

This work presents the “Second-Order Comprehensive Adjoint Sensitivity Analysis Methodology (2nd-CASAM)” for the efficient and exact computation of 1st- and 2nd-order response sensitivities to uncertain parameters and domain boundaries of linear systems. The model’s response (i.e., model result of interest) is a generic nonlinear function of the model’s forward and adjoint state functions, and also depends on the imprecisely known boundaries and model parameters. In the practically important particular case when the response is a scalar-valued functional of the forward and adjoint state functions characterizing a model comprising N parameters, the 2nd-CASAM requires a single large-scale computation using the First-Level Adjoint Sensitivity System (1st-LASS) for obtaining all of the first-order response sensitivities, and at most N large-scale computations using the Second-Level Adjoint Sensitivity System (2nd-LASS) for obtaining exactly all of the second-order response sensitivities. In contradistinction, forward other methods would require (N2/2 + 3 N/2) large-scale computations for obtaining all of the first- and second-order sensitivities. This work also shows that constructing and solving the 2nd-LASS requires very little additional effort beyond the construction of the 1st-LASS needed for computing the first-order sensitivities. Solving the equations underlying the 1st-LASS and 2nd-LASS requires the same computational solvers as needed for solving (i.e., “inverting”) either the forward or the adjoint linear operators underlying the initial model. Therefore, the same computer software and “solvers” used for solving the original system of equations can also be used for solving the 1st-LASS and the 2nd-LASS. Since neither the 1st-LASS nor the 2nd-LASS involves any differentials of the operators underlying the original system, the 1st-LASS is designated as a “first-level” (as opposed to a “first-order”) adjoint sensitivity system, while the 2nd-LASS is designated as a “second-level” (rather than a “second-order”) adjoint sensitivity system. Mixed second-order response sensitivities involving boundary parameters may arise from all source terms of the 2nd-LASS that involve the imprecisely known boundary parameters. Notably, the 2nd-LASS encompasses an automatic, inherent, and independent “solution verification” mechanism of the correctness and accuracy of the 2nd-level adjoint functions needed for the efficient and exact computation of the second-order sensitivities.

Optimization of Shanghai Marine Environmental Monitoring Sites in the Identification of Boundaries of Different Water Quality Grades

Water quality is critical to ensure that marine resources and the environment are utilized in a sustainable manner. The objective of this study is therefore to investigate the optimum placement of marine environmental monitoring sites to monitor water quality in Shanghai, China. To improve the mapping or estimation accuracy of the areas with different water quality grades, the monitoring sites were fixed in transition bands between areas of different grades rather than in other positions. Following bidirectional optimization method, first, 18 candidate sites were selected by filtering out specific site categories. Second, three of these were, in turn, eliminated because of the rule defined by the changes in the areas of water quality grades and by the standard deviation of the interpolation errors of dissolved inorganic nitrogen(DIN) and phosphate(PO_4-P). Furthermore, indicator kriging was employed to depict the transition bands between different water quality grades whenever new sampling sites were added. The four optimization projects of the newly added sites reveal that, all optimized sites were distributed in the transition bands of different water grades, and at the same time in the areas where the historical sites were sparsely distributed. New sites were also found in the overlap region of different transition bands. Additional sites were especially required in these regions to discriminate the boundaries of different water quality grades. Using the bidirectional optimization method of the monitoring sites, the boundaries of different water quality grades could be determined with a higher precision. As a result, the interpolation errors of DIN and PO_4-P could theoretically decrease.

Nonlinearity of initiating and extinguishing boundaries of DBDs with airflows

Various applications of volume dielectric barrier discharges(DBDs)with airflows have attracted significant attention such as in the fields of plasma medicine,surface modification,ozone synthesis,etc.In this work,the nonlinearity characteristics of DBDs in initiating and extinguishing boundaries with airflows are experimentally investigated.It is found that the difference between initiating pulse repetition frequencies(PRFs)and extinguishing PRFs is affected by the addition of airflows.A hysteresis region is produced between these two PRFs.A topological rule of Thom's classification theorem is proposed to investigate the hysteresis phenomenon of discharges with airflows.It is concluded that the discharge state is dependent on the operation route.The discharge state would transit from initiating to extinguishing,or in the opposite direction,while passing along a specific operation route.Based on the topological method,two nonlinear laws of discharge structure transition under the typical operation routes are predicted and verified in the discharge experiments.

The Interaction of Rare Earths,Phosphorus and Tin on Grain Boundaries of α-Fe

The segregation and interaction of REM,phosphorus and tin on grain boundaries of α-Fe were investigated by Auger spectrometry and SEM.The results show that REM,P and Sn tend to segregate on grain boundaries of α-Fe.Adding REM into Fe-Sn alloy with low S,P contents could suppress the segregation of Sn on grain boundaries.The segregation of Sn would decrease with increasing of REM.In Fe-Sn-P alloy P would suppress the segregation of Sn.The segregation of P would be suppressed by segregation of REM.The trend of P segre- gation decreases with increasing of REM.With increasing of REM the segregation of Sn at first is lowered but then followed with an increasing.Adding REM into Fe-Sn and Fe-Sn-P alloys could suppress intercrystalline fracture of α-Fe at low temperatures.

Energy of Grain Boundaries of Different Type in fcc Solid Solutions,Ordered Alloys and Intermetallics with L1_2 Superstructure

The study of the triple junctions of the grain boundaries in some fee solid solutions, ordered alloys and intermetallics with L12 has been carried out using the optical metallography and TEM methods. Two-types of the triple junctions were found in the alloys investigated (1), consisting of the boundaries of the random (RT), and (2), consisting of the RT boundary and the special boundaries (ST). The relative values of the RT and ST boundary energy were determined on the basis of the measurements of the angles between the grain boundary planes. It has been shown that the energy of ST boundaries increases with the increase of the stacking fault (SF) energy. The energy of the RT boundaries does not depend on the SF energy.

Spatially Resolved Analytical Electron Microscopy at Grain Boundaries of α-Al_2O_3

In this work the electronic structure and the impurity excess of the basal and rhombohedral twin grain boundaries are investigated, using electron energy loss spectroscopy (EELS) and energy dispersive X-ray spectroscopy (EDXS). The measurability of electronic structures of the twin grain boundaries are discussed by comparing theoretical density of states (DOS) from bulk material with interfacial DOS, obtained from local density functional theory (LDFT) calculations.

Precise Location of Earthquakes at the Eastern Boundaries of the Sichuan-Yunnan Rhombic Block

Based on the seismic station data sets from Sichuan and Yunnan provinces,we employed a multi-step seismic location method( Hypo2000 + Velest + HypoDD) to precisely locate the 7,787 earthquakes that occurred during 2010-2015 along the eastern boundaries of the Sichuan-Yunnan rhombic block,namely from southern Dawu to the Qiaojia segment.The final results show that location precision is greatly advanced and epicenter distribution exhibits good consistency with the linear distribution of the seismic faults. Earthquake distribution is quite intensive at the intersection region in the southern segment of the Xianshuihe fault,the Anninghe fault zone,the Xiaojinhe fault zone and the Daliangshan fault zone to the east. The depth profile of seismicity shows a clear stepwise activity along the active seismic fault zones. The profile crossing the faults of the Xianshuihe,Anninghe,and Daliangshan presents a complex interaction among faults near the multiple faults intersection region,Shimian,where the earthquakes are obviously divided into two groups in depth. Earthquakes are very rare at the depth of 15km-20 km,which is consistent with the region of the plastic rheology between 14km-19 km calculated by Zhu Ailan et al.,( 2005).

CONSTANT DISTANCE BOUNDARIES OF THE t-QUASICIRCLE AND THE KOCH SNOWFLAKE CURVE

LetΓbe a Jordan curve in the complex plane and let Γ_(λ) be the constant distance boundary ofΓ.Vellis and Wu[10]introduced the notion of a(ζ,r_(0))-chordal property which guarantees that,whenλis not too large, Γ_(λ) is a Jordan curve whenζ=1/2 and Γ_(λ) is a quasicircle when 0<ζ<1/2.We introduce the(ζ,r_(0),t)-chordal property,which generalizes the(ζ,r_(0))-chordal property,and we show that under the condition thatΓis(ζ,r_(0),√t)-chordal with 0<ζ<r_(0)^(1−√t)/2,there existsε>0 such that Γ_(λ) is a t-quasicircle once Γ_(λ) is a Jordan curve when 0<λ<ε.In the last part of this paper,we provide an example:Γis a kind of Koch snowflake curve which does not have the(ζ,r_(0))-chordal property for any 0<ζ<1/2,however Γ_(λ) is a Jordan curve whenλis small enough.Meanwhile,Γhas the(ζ,r_(0),√t)-chordal property with 0<ζ<r_(0)^(1−√t)/2 for any t∈(0,1/4).As a corollary of our main theorem, Γ_(λ) is a t-quasicircle for all 0<t<1/4 whenλis small enough.This means that our(ζ,r_(0),t)-chordal property is more general and applicable to more complicated curves.

Determining the boundaries of globular-to-spray transfer in robotic GMAW

Robotic gas metal arc welding （GMAW） experiments were conducted using an ERTOS-1 electrode with Ar ＋ 10% CO2 shielding gas, and the welding current and arc voltage signals were collected by a data acquisition system. The boundaries between globular transfer and spray transfer in terms of the welding current and arc voltage were determined according to the waveform of electric signals and the Fourier transform results of arc voltage. The optimum welding parameters for the two transfer modes were obtained, which laid a foundation for the numerical simulation and control of GMAW process.

Applications of gravity data in identification of faults and tectonic boundaries of a working area in Inner Mongolia

In order to determine the tectonic framework of the Late Paleozoic sedimentary basin of the studied area in Inner Mongolia, horizontal derivative, vertical derivative, total gradient modulus, tilt angle, and Euler deconvolution methods were used to process the high-precision gravity data. Four major faults and six secondary faults have been identified according to the horizontal fault position information provided by the first four methods, and the fault depth information were obtained using the Euler deconvolution method. The interpreted faults were identified as the main basin-controlling structures in the study area, which was helpful for deepening the understanding of the basin's structure, as well as providing important references for delineating hidden polymetallic ore veins.

“We” and “They”: On Gesar Culture and Ethnic Boundaries of Rebgong Khre-Tse Sde-Bzhi

The Gesar Epic is not only a literary work and cultural icon of the Tibetan people but a symbol of maintaining ethnic boundaries.In particular,in the community mixed with both Hor and Tibetan residents,the cultural memory of Gesar is considered as one of the greatest distinguishing factors to tell the Self Group from the Other-Group.Khre-Tse Sde-Bzhi(referring to the four villages),a marginal group in Tibetan-inhabited area of Rebgong,is called Hor or DorDo by local Tibetans.When it comes to ethnic identification,the ethnic group is commonly recognized as Tu ethnicity.In fact,in the community of Khre-Tse Sde-Bzhi,local residents are distinguished by whether they are Hor(a branch of Mongolian language family)or Bod(Tibetan);moreover,there remains a relatively obvious sense of ethnic identity.And yet,in addition to the dominant characteristics of local languages,it is the Gesar culture that has become one of the main features to differentiate between Bod and Hor.More importantly,people of Bod and Hor identify themselves by whether the others tell the complete version of the Gesar Epic or whether they have the authentic King Gesar enshrined,in order to determine their cultural identity.

The Role of Grain Boundaries in Organic-Inorganic Hybrid Perovskite Solar Cells and its Current Enhancement Strategies:A Review

Grain boundaries(GBs)in perovskite polycrystalline films are the most sensitive place for the formation of the defect states and the accumulation of impurities.Thus,abundant works have been carried out to explore their properties and then try to solve the induced problems.Currently,two important issues remain.First,the role of GBs in charge carrier dynamics is unclear due to their component complexity/defect tolerance nature and the insufficiency in testing accuracy.Some works conclude that GBs are benign,while others consider GBs as carrier recombination centers.Things for sure are the deterioration in ion transport and perovskite decomposition.Second,to solve the known hazards of GBs,a lot of additives have been added to anchoring ions and passivate defects.But in most of those works,GBs and perovskite surfaces are treated in the same manner ignoring the fact that GB is essentially a homogeneous junction in a narrow and slender space,while surface is a heterogeneous junction with a stratified structure.In this review,we focus on works insight into GBs and additives for them.Additionally,we also discuss the prospects of the maturity of GB exploration toward upscaling the manufacture of perovskite photovoltaic and related optoelectronic devices.

Natural vibration and critical velocity of translating Timoshenko beam with non-homogeneous boundaries

In most practical engineering applications,the translating belt wraps around two fixed wheels.The boundary conditions of the dynamic model are typically specified as simply supported or fixed boundaries.In this paper,non-homogeneous boundaries are introduced by the support wheels.Utilizing the translating belt as the mechanical prototype,the vibration characteristics of translating Timoshenko beam models with nonhomogeneous boundaries are investigated for the first time.The governing equations of Timoshenko beam are deduced by employing the generalized Hamilton's principle.The effects of parameters such as the radius of wheel and the length of belt on vibration characteristics including the equilibrium deformations,critical velocities,natural frequencies,and modes,are numerically calculated and analyzed.The numerical results indicate that the beam experiences deformation characterized by varying curvatures near the wheels.The radii of the wheels play a pivotal role in determining the change in trend of the relative difference between two beam models.Comparing the results unearths that the relative difference in equilibrium deformations between the two beam models is more pronounced with smaller-sized wheels.When the two wheels are of equal size,the critical velocities of both beam models reach their respective minima.In addition,the relative difference in natural frequencies between the two beam models exhibits nonlinear variation and can easily exceed 50%.Furthermore,as the axial velocities increase,the impact of non-homogeneous boundaries on modal shape of translating beam becomes more significant.Although dealing with non-homogeneous boundaries is challenging,beam models with non-homogeneous boundaries are more sensitive to parameters,and the differences between the two types of beams undergo some interesting variations under the influence of non-homogeneous boundaries.

INCOMPRESSIBLE LIMIT OF IDEAL MAGNETOHYDRODYNAMICS IN A DOMAIN WITH BOUNDARIES

We study the incompressible limit of classical solutions to compressible ideal magneto-hydrodynamics in a domain with a flat boundary.The boundary condition is characteristic and the initial data is general.We first establish the uniform existence of classical solutions with respect to the Mach number.Then,we prove that the solutions converge to the solution of the incompressible MHD system.In particular,we obtain a stronger convergence result by using the dispersion of acoustic waves in the half space.

Plasma induced grain boundaries to boost electrochemical reduction of CO_(2)to formate

Bismuth-based catalysts are highly promising for the electrochemical carbon dioxide reduction reaction(eCO_(2)RR)to formate product.However,achieving high activity and selectivity towards formate and ensuring long-term stability remains challenging.This work reports the oxygen plasma inducing strategy to construct the abundant grain boundaries of Bi/BiO_x on ultrathin two-dimensional Bi nanosheets.The oxygen plasma-treated Bi nanosheet(OP-Bi)exhibits over 90%Faradaic efficiency(FE)for formate at a wide potential range from-0.5 to-1.1 V,and maintains a great stability catalytic performance without significant decay over 30 h in flow cell.Moreover,membrane electrode assembly(MEA)device with OPBi as catalyst sustains the robust current density of 100 mA cm^(-2)over 50 h,maintaining a formate FE above 90%.In addition,rechargeable Zn-CO_(2)battery presents the peak power density of1.22 mW cm^(-2)with OP-Bi as bifunctional catalyst.The mechanism experiments demonstrate that the high-density grain boundaries of OP-Bi provide more exposed active sites,faster electron transfer capacity,and the stronger intrinsic activity of Bi atoms.In situ spectroscopy and theo retical calculations further elucidate that the unsaturated Bi coordination atoms between the grain boundaries can effectively activate CO_(2)molecules through elongating the C-O bond,and reducing the formation energy barrier of the key intermediate(^(*)OCOH),thereby enhancing the catalytic performance of eCO_(2)RR to formate product.