{"currentpage":1,"firstResult":0,"maxresult":10,"pagecode":5,"pageindex":{"endPagecode":5,"startPagecode":1},"records":[{"abstractinfo":"The adsorption of an H2O molecule on Ni{111} has been investigated by density functional theory (DFT) calculations. In addition to the consensus between previously reported experimental data and our DFT results arrived at via the surface relaxation pattern, the electron work function and energy levels of a free H2O, as well as the adsorption energy, we have further presented a previously unrecognized electronic picture for the stable on-top adsorption, by analysis of projected density of states. We have provided clear evidence that the Ni 3p orbitals (p(z) and p(y)), specifically the hybrid orbitals: 3p(z)-2p(z), 3p(y)-2p(z), 3p(z)-2p(y), and 3p(y)-2p(y), play crucial roles in the water bonding at the surface. Our results thus offer a new and inclusive understanding of the electronic nature, which is beyond the conventional model of 3a(1)-3p(z) and 3a(1)-3p(y) interactions.","authors":[],"categoryName":"|","doi":"","fpage":"8301","id":"d12ee61a-bb47-4017-809f-789a7a6d60f7","issue":"22","journal":{"abbrevTitle":"JOPCC","id":"ac67555d-0402-4e5c-8a4c-93f73d479ea5","issnPpub":"1932-7447","publisherId":"JOPCC","title":"Journal of Physical Chemistry C"},"keywords":[{"id":"2511a099-d0a3-49ee-931e-2ef8778eddea","keyword":"h2o adsorption;surfaces;interface;molecules","originalKeyword":"h2o adsorption;surfaces;interface;molecules"}],"language":"en","publisherId":"1932-7447_2008_22_1","title":"Electronic structure of monomeric water adsorption on Ni{111}: Beyond the general model","volume":"112","year":"2008"},{"abstractinfo":"In orber to calculate the activity coefficients of water in the aqueous solution systems of double electrolytes, HCl and MCln (M=Ni, Cu,Na and Fe), a simplified regular solution model has been derived based on the assumption that the electrolytes in the aqueous solution are treated as independent particles instead of their ion forms, and that the interaction of the component pair HCl-MCln in the aqueous solution is very weak as compared with the component pairs HCl-H2O and H2 O-MCln. The interchange energies of the component pairs in the discussed systems, ωWCl-H2o, ωH2o-NiCl2,ωH2o-CuCl2, ωH2o-NaCl and ωH2O-FeCl3, have been evaluated from the experimental data to be-69800, -212600, -90550, -42450 and -198310J·mol-1.","authors":[{"authorName":"Q.R. Zhang","id":"1a27619c-2558-4e62-871b-e60d2985cac6","originalAuthorName":"Q.R. Zhang"},{"authorName":"Y.G. Li and Z. Fang (Department of Chemistry","id":"afa16c29-f0a6-4a83-b79f-398d6e511dd9","originalAuthorName":"Y.G. Li and Z. Fang (Department of Chemistry"},{"authorName":" Central South University of Technology","id":"3b051a36-e934-489f-b42e-23499d1a8bf6","originalAuthorName":" Central South University of Technology"},{"authorName":" Changsha 410083","id":"ad618572-9ca9-4fa9-9e80-4c2cb5ec60db","originalAuthorName":" Changsha 410083"},{"authorName":" China)(Department of Chemistry","id":"81adba54-16e2-41bb-bfd7-9b10d6e1c728","originalAuthorName":" China)(Department of Chemistry"},{"authorName":" Central South University of Technology","id":"eeaf26e2-3c76-4bb5-8322-e005cd807b0a","originalAuthorName":" Central South University of Technology"},{"authorName":" Changsha 410083","id":"252771b8-91a6-48b7-8fac-a601c73b3d2c","originalAuthorName":" Changsha 410083"},{"authorName":" China)(Department of Chemistry","id":"56a7a7f7-9793-486e-9ad4-55c2b2b8efaf","originalAuthorName":" China)(Department of Chemistry"},{"authorName":" Central South University of Technology","id":"991296f9-8070-45e4-9b93-e29f95558131","originalAuthorName":" Central South University of Technology"},{"authorName":" Changsha 410083","id":"103ea6f8-75b8-4a6e-964b-7d7070a335c1","originalAuthorName":" Changsha 410083"},{"authorName":" China)","id":"c3970e38-9cbf-4d3b-bd01-a05ef8ad9469","originalAuthorName":" China)"}],"categoryName":"|","doi":"","fpage":"241","id":"5b41872f-1463-4846-a40d-b8454699d85b","issue":"3","journal":{"abbrevTitle":"JSXBYWB","coverImgSrc":"journal/img/cover/amse.jpg","id":"49","issnPpub":"1006-7191","publisherId":"JSXBYWB","title":"金属学报(英文版)"},"keywords":[{"id":"1d150c9d-7ded-484d-b37f-1ee287d7cae5","keyword":"solution model; interchange energy; electrolyte solution","originalKeyword":"solution model; interchange energy; electrolyte solution"}],"language":"en","publisherId":"1006-7191_1999_3_6","title":"A MODEL FOR THE ACTIVITY COEFFICIENTS OF WATER IN THE AQUEOUS SOLUTION OF HCl-MCl_n (M=Ni, Cu, Na AND Fe) WITH CONSTANT CONCENTRATION RATIO XHCl/XMCl_n","volume":"12","year":"1999"},{"abstractinfo":"In this paper, the subject of mathematical model is a series of math expressions, which is used to calculate different regions' volume fraction and analyze flow characterization in multi-strand tundish. But research about mathematical model for multi-strand tundish is few, and so far, there has been no acknowledged math model for multi-strand tundish to describe its flow characteristic. If Sahai's model, which is originally proposed for the case of single-strand tundish (proposed in reference[10], and this model is widely used in the world), is applied to describe flow feature in multi-strand tundish, the calculation results would be unreasonable. Based on the data of water-model experiment results, the sum of each strand's dead region's volume fraction is bigger than 100 %, and this obviously doesn't agree with reality; and the value of dead region's volume fraction is calculated to be minus according to mathematical simulation results data in another case. What's more, Sahai's model does not propose the standard of plotting the RTD-curve, and this makes scholars around the world can't achieve consensus of views about plotting RTD-curve. And the model doesn't consider the bypass flow and can't calculate its volume fraction, but bypass flow is critical to tundish metallurgy. And through Sahai's model, the calculation result of plug flow region's volume fraction is also not reasonable, because the model doesn't well describe the essence of plug flow. So these suggest that it is not reliable to apply Sahai's single-strand tundish model to multi-strand tundish case. Then a new model is attempted to propose in this paper for your discussion. In the new model, the standard of plotting RTD curve is definitely proposed, and relative calculation method is also proposed; and the feature of dead region is carefully studied and the model proposes a new method to calculate its volume fraction, and the calculation formula about its volume fraction can be adjustable according the actual demand; what's more, the new model considers the bypass flow and proposes a method to calculate its volume fraction for the first time, and then volume fraction of plug flow region, backmix flow region, dead region and bypass flow can be calculated and obtained at the same time; and this new model can better capture the deviation of reality flow pattern from ideal plug flow pattern, and reflects the feature of plug flow.","authors":[{"authorName":"Hongwei PAN","id":"f996c885-34bd-44eb-a13e-7dca53995b55","originalAuthorName":"Hongwei PAN"},{"authorName":"Shusen CHENG","id":"3f505203-b30a-406b-bab5-fbc1acbee419","originalAuthorName":"Shusen CHENG"}],"categoryName":"|","doi":"10.1016/S1006-7191(08)60102-7","fpage":"297","id":"1813334d-c254-4aa9-a945-41bea4cec28d","issue":"4","journal":{"abbrevTitle":"JSXBYWB","coverImgSrc":"journal/img/cover/amse.jpg","id":"49","issnPpub":"1006-7191","publisherId":"JSXBYWB","title":"金属学报(英文版)"},"keywords":[{"id":"e665e26e-e0dd-4fe1-a863-5e8f925ebbad","keyword":"Tundish","originalKeyword":"Tundish"},{"id":"38c94689-69f5-49a7-9573-abb4b3c657e0","keyword":"null","originalKeyword":"null"},{"id":"68a1c57b-a75a-4365-aa8c-60f7d405dcdc","keyword":"null","originalKeyword":"null"},{"id":"20be888a-d745-4c10-be2d-affcf8aaaa57","keyword":"null","originalKeyword":"null"},{"id":"e2e3541a-0ff1-4d5a-87b6-1ae3095fa2f8","keyword":"null","originalKeyword":"null"},{"id":"e1c22c91-e3cc-420b-a9a5-7a5fdf05b767","keyword":"null","originalKeyword":"null"}],"language":"en","publisherId":"1006-7191_2009_4_5","title":"Mathematical model of flow characteristic in multi-strand continuous casting tundishes","volume":"22","year":"2009"},{"abstractinfo":"A microstructural model, which was used to predict the evolution of microstrncturi of Gatorized Waspaloy in the isotherrnal forging process, was developed in terms of dynamic recrystallization and grain growth. Three steps of experiment were conducted during developing the model: (1) Specimens were compressed in MTS testiny machinci (2) Dynamic recrystallization and grain growth were discussed; (3) Dynamic reerys tallization model and grain growth model were set up. The agreement of simulated results and experimental data is fine.","authors":[{"authorName":"J.P. Hu","id":"8e7cb00a-5171-4e04-8776-9fcd76293bbc","originalAuthorName":"J.P. Hu"}],"categoryName":"|","doi":"","fpage":"205","id":"40d6d067-97be-4bea-b5ad-6934ca69d1a0","issue":"3","journal":{"abbrevTitle":"JSXBYWB","coverImgSrc":"journal/img/cover/amse.jpg","id":"49","issnPpub":"1006-7191","publisherId":"JSXBYWB","title":"金属学报(英文版)"},"keywords":[{"id":"b6d0e8cb-7927-4527-ad9f-f45af4e1708d","keyword":"Gatorized Waspaloy","originalKeyword":"Gatorized Waspaloy"},{"id":"ff7faa1f-9a71-4b78-987d-d08123288edd","keyword":"null","originalKeyword":"null"},{"id":"8385bbcf-2e7c-4bd8-a169-ab34e3db7d8d","keyword":"null","originalKeyword":"null"},{"id":"4159baa8-c06c-4352-a7db-4c9f2d5665b3","keyword":"null","originalKeyword":"null"}],"language":"en","publisherId":"1006-7191_2001_3_5","title":"MICROSTRUCTURAL MODEL OF GATORIZED WASPALOY IN THE ISOTHERMAL FORGING PROCESS","volume":"14","year":"2001"},{"abstractinfo":"From a study of electrical conductivity of protons in the hydrogen-bonded chains in ice we confirm that the magnetization of liquid water is caused by proton transfer in closed hydrogen-bonded chains occurring as a first order phase transition, through which the ice becomes liquid water. We first study the conductive properties of proton transfer along molecular chains in ice crystals in our model. Ice is a typical hydrogen-bonded molecular system, in which the interaction of localized fluctuation of hydrogen ions (H+) with deformation of a structure of hydroxyl group (OH) results in soliton motion of the protons along the molecular chains via ionic and bonded defects. We explain further the quantum conductive properties of proton transfer and determine its mobility and conductivity under constant electric-field using a new theory of proton transfer, which agree with experimental values. From features of first order phase-transition for ice, and some experimental data of pure and magnetized water we confirm further that there are not only free water molecules, but also many linear and closed hydrogen-bonded chains consisting of many polarized water-molecules in the liquid water. Thus a ring proton-current, which resembles to a '' molecular current '' or a '' small magnet '' in solids, can occur in the closed hydrogen-bond chains under action of an externally applied magnetic field. Then the water molecules in the closed chains can be orderly arrayed due to the magnetic interaction among these ring proton currents and the externally applied magnetic field. This is just the magnetized effect of the water. In such a case the optical and electronic properties of the water, including the dielectric constant, magnetoconductivity, refraction index, Raman and Infrared absorption spectra, are changed. We determine experimentally the properties of the magnetized water which agree with the theoretical results of our model. However, the magnetized effect of water is, in general, very small, and vanishes at temperatures above 100 degrees C.","authors":[],"categoryName":"|","doi":"","fpage":"41052","id":"e2e6cbef-1e6e-4796-a0b9-fcaf611fb546","issue":"1","journal":{"abbrevTitle":"EPJB","id":"7e73e1c1-9500-410e-916d-2d1b8f2a2e6e","issnPpub":"1434-6028","publisherId":"EPJB","title":"European Physical Journal B"},"keywords":[{"id":"432e1a48-d2c2-4498-8806-d8fa8e85075b","keyword":"hydrogen-bonded chains;molecular-dynamics simulation;2-component;solitary waves;thermodynamic properties;protein molecules;raman-scattering;external-field;systems;solitons;transport","originalKeyword":"hydrogen-bonded chains;molecular-dynamics simulation;2-component;solitary waves;thermodynamic properties;protein molecules;raman-scattering;external-field;systems;solitons;transport"}],"language":"en","publisherId":"1434-6028_2006_1_1","title":"The conductivity properties of protons in ice and mechanism of magnetization of liquid water","volume":"49","year":"2006"},{"abstractinfo":"In the water modeling experiments, three cases were considered, ie, a bare tundish, a tundish equipped with a turbulence inhibitor, and a rectangular tundish equipped with weirs (dams) and a turbulence inhibitor. Comparing the RTD curves, inclusion separation, and the result of the streamline experiment, it can be found that the tundish equipped with weirs (dams) and a turbulence inhibitor has a great effect on the flow field and the inclusion separation when compared with the sole use or no use of the turbulent inhibitor or weirs (dams). In addition, the enlargement of the distance between the weir and dam will result in a better effect when the tundish equipped with weirs (dam) and a turbulence inhibitor was used.","authors":[{"authorName":"LIU Jingang","id":"6ac81557-cbf8-42cf-aac5-8fc1c41865de","originalAuthorName":"LIU Jingang"},{"authorName":"YAN Huicheng","id":"43bb6493-72d6-4e99-ad36-c09008286119","originalAuthorName":"YAN Huicheng"},{"authorName":"LIU Liu","id":"d47329b5-28fb-4a80-91cc-244608441ced","originalAuthorName":"LIU Liu"},{"authorName":"WANG Xinhua","id":"a3d9bbe8-06c6-43fe-80e3-4638a5c1bae8","originalAuthorName":"WANG Xinhua"}],"categoryName":"|","doi":"","fpage":"13","id":"e676a7f4-f64e-4b91-9ea8-9e31fd592ed8","issue":"3","journal":{"abbrevTitle":"GTYJXBYWB","coverImgSrc":"journal/img/cover/GTYJXBEN.jpg","id":"1","issnPpub":"1006-706X","publisherId":"GTYJXBYWB","title":"钢铁研究学报(英文版)"},"keywords":[{"id":"fac496f4-f2a9-464c-8dd5-3b67a8a66cb8","keyword":"tundish;flow field;turbulence inhibitor;weir;dam;water modeling experiment","originalKeyword":"tundish;flow field;turbulence inhibitor;weir;dam;water modeling experiment"}],"language":"en","publisherId":"1006-706X_2007_3_4","title":"Water Modeling of Optimizing Tundish Flow Field","volume":"14","year":"2007"},{"abstractinfo":"The kinetic model for desulfurization using CaO-based powder injection has been proposed, which accords with the actual process of the experiment. For the model, a comparison between CaO-based flux and Mg-based flux was made and the results show that the desulfurization rate of the Mg-based flux is far more than that of CaO-based flux. On the basis of the model calculation, on comparison of CaO-CaF2 flux and calcium aluminate flux, the desulfurization rates of the two fluxes are close to each other. In addition, the effects of some operational factors on the kinetics of desulfurization are discussed.","authors":[{"authorName":"Y. Jin","id":"61ea6944-0728-459d-af06-99864106714f","originalAuthorName":"Y. Jin"},{"authorName":" X.G. Bi ","id":"ffc8dcfb-0b20-4f8f-9494-b12713618bcb","originalAuthorName":" X.G. Bi "},{"authorName":" S.R. Yu","id":"c24d2769-984a-48f8-9fd4-56471b46a8d1","originalAuthorName":" S.R. Yu"},{"authorName":"null","id":"4c50bb26-b7b0-4e90-bd79-da4d88c39fc8","originalAuthorName":"null"},{"authorName":"null","id":"0ea41f30-4fa1-42ed-b744-8128a22325f3","originalAuthorName":"null"},{"authorName":"null","id":"395db780-244a-4b61-b1f9-392ff963b147","originalAuthorName":"null"}],"categoryName":"|","doi":"","fpage":"258","id":"1c86f773-6ae8-4636-95fe-494515793bf4","issue":"4","journal":{"abbrevTitle":"JSXBYWB","coverImgSrc":"journal/img/cover/amse.jpg","id":"49","issnPpub":"1006-7191","publisherId":"JSXBYWB","title":"金属学报(英文版)"},"keywords":[{"id":"7d83b5c4-5f07-4c1d-abc9-c064ee318bbe","keyword":"powder injection","originalKeyword":"powder injection"},{"id":"424b9645-2198-47cd-b361-04173999ae7f","keyword":"null","originalKeyword":"null"},{"id":"9e518237-0a6e-47d7-b02a-b0c796e0ae61","keyword":"null","originalKeyword":"null"}],"language":"en","publisherId":"1006-7191_2006_4_7","title":"KINETIC MODEL FOR POWDER INJECTION DESULFURIZATION","volume":"19","year":"2006"},{"abstractinfo":"A mathematical model of vibration power generation (VPG) with the giant magnetostrictive material (GMM) is proposed on the basis of the magneto-mechanical coupling model, Jiles-Atherton model and electromagnetic induction law. According to the model, the output voltage of a giant magnetostrictive power generator has been calculated under the condition of different vibration frequency, pre-stress and bias magnetic field. The calculating results show that the model can reveal the relationship between the input vibrating stress and output voltage. The experiment of a giant magnetostrictive power generator has been carried out, and the experimental results agree well with the calculating results.","authors":[],"categoryName":"|","doi":"","fpage":"2374","id":"8dabf0e3-f611-4793-a539-8c38999269e2","issue":"15-16","journal":{"abbrevTitle":"IJOMPB","id":"8ecc85e1-d03b-4838-9406-aa241f502c59","issnPpub":"0217-9792","publisherId":"IJOMPB","title":"International Journal of Modern Physics B"},"keywords":[{"id":"15b85348-b76a-4bff-84eb-d71fd7f98cbc","keyword":"Model;magnetostrictive material;vibration;power generation;ferromagnetic hysteresis;transducers","originalKeyword":"Model;magnetostrictive material;vibration;power generation;ferromagnetic hysteresis;transducers"}],"language":"en","publisherId":"0217-9792_2010_15-16_4","title":"MODEL AND EXPERIMENTAL STUDY OF GIANT MAGNETOSTRICTIVE POWER GENERATION","volume":"24","year":"2010"},{"abstractinfo":"A fracture criterion derived from a microscopic\npoint of view is proposed and has proved to be effective in the\nanalysis of uniaxial tension. On the one hand, a method of\npredicting a ductile fracture is proposed using a three-dimensional\nvoid model and the assumption of velocity discontinuity. The\nrelationship between the void volume fraction and the critical\nstrain to fracture, calculated with the help of the new model, shows\nthe same tendency as that obtained from the modified Thomason model.\nOn the other hand, the mechanical and metallographic analyses of the\nuniaxial tension experiment are performed using four kinds of carbon\nsteel. The relationship between the void volume fraction and the\ncritical strain to fracture, calculated from the new model, agrees\nbetter with the result obtained from the experiment, rather than\nthat calculated by the modified Thomason model, which confirms the\nvalidity of the ductile fracture criterion based on the\nthree-dimensional void model.","authors":[{"authorName":"J.K. Huang","id":"fae17d9c-6424-4c78-8277-3d1d69c67a6b","originalAuthorName":"J.K. Huang"},{"authorName":" X.H. Dong","id":"72d58be5-4430-40a9-ad5f-1c3f79e4ed9d","originalAuthorName":" X.H. Dong"}],"categoryName":"|","doi":"","fpage":"227","id":"e8125472-88d8-468d-85a2-3586c270f4d7","issue":"3","journal":{"abbrevTitle":"JSXBYWB","coverImgSrc":"journal/img/cover/amse.jpg","id":"49","issnPpub":"1006-7191","publisherId":"JSXBYWB","title":"金属学报(英文版)"},"keywords":[{"id":"7237a29e-6c3c-48c1-b5e8-1d0fe26723cd","keyword":"Fracture criterion","originalKeyword":"Fracture criterion"},{"id":"7a7b846f-1b6e-4614-85c3-35b03448ad12","keyword":"null","originalKeyword":"null"},{"id":"971d9a28-e167-428b-aca8-d8be6ec1056b","keyword":"null","originalKeyword":"null"},{"id":"73ca58b7-9b57-4fbc-8b47-6de0a06655a0","keyword":"null","originalKeyword":"null"}],"language":"en","publisherId":"1006-7191_2008_3_11","title":"A Ductile Fracture Criterion Based On Threedimensional Void Model","volume":"21","year":"2008"},{"abstractinfo":"The model of hydrogen diffusion formerly de- veloped [1] has been applied successfully to the hydrogen permeation experiment results of three kinds of materials,α—Fe,Fe—Ti alloy and Fe—Ti—C alloy by the mathematical fitting method.From the fitting results it was shown that the model can re- fiect well the diffusion of hydrogen in the materials with trapping.The obtained trapping parameters(α and β)can be used to explain well the diffusion of hydrogen in the samples with trapping.","authors":[{"authorName":"YANG Ke","id":"308c82a8-6249-493a-b5f0-fc08c44fef7a","originalAuthorName":"YANG Ke"},{"authorName":"CAO Mingzhou","id":"a8eb97de-e7e2-4371-ad64-96efe9cf6f91","originalAuthorName":"CAO Mingzhou"},{"authorName":"WAN Xiaojing","id":"ee2aa638-d38b-48ef-af8e-af0992287c58","originalAuthorName":"WAN Xiaojing"},{"authorName":"SHI Changxu Institute of Metal Research","id":"a42367ee-a440-41bb-ba1c-96c308c078bd","originalAuthorName":"SHI Changxu Institute of Metal Research"},{"authorName":"Academia Sinica","id":"9e9fa10d-abdb-4b96-b2f5-39a95a798292","originalAuthorName":"Academia Sinica"},{"authorName":"Shenyang","id":"4f9718b2-9fe0-4666-b276-c476b1485d85","originalAuthorName":"Shenyang"},{"authorName":"110015","id":"a5bed489-7be7-4d3e-95c1-f493a3bf725d","originalAuthorName":"110015"},{"authorName":"China.","id":"47f915e0-93ea-487e-9913-61280c8b2ab9","originalAuthorName":"China."}],"categoryName":"|","doi":"","fpage":"421","id":"28eaf562-0747-4519-9c33-b2c820ca1f08","issue":"6","journal":{"abbrevTitle":"CLKXJSY","coverImgSrc":"journal/img/cover/JMST.jpg","id":"11","issnPpub":"1005-0302 ","publisherId":"CLKXJSY","title":"材料科学技术(英)"},"keywords":[{"id":"448b13aa-c6d8-41d3-8dc7-2c46dff2aa8c","keyword":"hydrogen diffusion","originalKeyword":"hydrogen diffusion"},{"id":"c27beea6-e958-4ca2-95fd-83518584f0ba","keyword":"null","originalKeyword":"null"},{"id":"4ecc116c-7b1a-4108-b6a5-48c27f80d563","keyword":"null","originalKeyword":"null"},{"id":"28afe10a-c1df-4e8c-b49e-487618dc1877","keyword":"null","originalKeyword":"null"}],"language":"en","publisherId":"1005-0302_1990_6_9","title":"Application of the Hydrogen Diffusion Model to the Hydrogen Permeation","volume":"6","year":"1990"}],"totalpage":324,"totalrecord":3237}