Molecular dynamics studies on dislocations in crystallites of nanocrystalline alpha-iron

Molecular dynamics simulations have been carried our to study the atomic structure of the crystalline component of nanocrystalline alpha-iron. A two-dimensional computational block is used to simulate the consolidation process. It is found that dislocations are generated in the crystallites during consolidation when the grain size is large enough. The critical value of the grain size for dislocation generation appears to be about 9 nm. This result agrees with experiment qualitatively. AN dislocations that are preset in the original grains glide out during consolidation. It shows that dislocations in the crystallites we generated in consolidation process, but not in the original grains. Higher consolidation pressure results in more dislocations. Furthermore, new interfaces are found within crystallites. These interfaces might result from the special environment of nanomaterial. (C) 1998 Acta Metallurgica Inc.

Report of the 2004 Workshop on In Situ Iron Enrichment Experiments in the Eastern and Western Subarctic Pacific

Foreword 1. BACKGROUND AND OBJECTIVES (pdf, 0.1 Mb) 2. 2004 WORKSHOP SUMMARY (pdf, < 0.1 Mb) 2.1. What have we learned from the enrichment experiments? 2.2 What are the outstanding questions? 2.3 Recommendations for SEEDS-II 3. EXTENDED ABSTRACTS OF THE 2004 WORKSHOP 3.1 Synthesis of the Iron Enrichment Experiments: SEEDS and SERIES (pdf, 0.5 Mb) Iron fertilization experiment in the western subarctic Pacific (SEEDS) by Atsushi Tsuda The response of N and Si to iron enrichment in the Northeast Pacific Ocean: Results from SERIES by David Timothy, C.S. Wong, Yukihiro Nojiri, Frank A. Whitney, W. Keith Johnson and Janet Barwell-Clarke 3.2 Biological and Physiological Responses (pdf, 0.2 Mb) Zooplankton responses during SEEDS by Hiroaki Saito Phytoplankton community response to iron and temperature gradient in the NW and NE subarctic Pacific Ocean by Isao Kudo, Yoshifumi Noiri, Jun Nishioka, Hiroshi Kiyosawa and Atsushi Tsuda SERIES: Copepod grazing on diatoms by Frank A. Whitney, Moira Galbraith, Janet Barwell-Clarke and Akash Sastri The Southern Ocean Iron Enrichment Experiment: The nitrogen uptake response by William P. Cochlan and Raphael M. Kudela 3.3 Biogeochemical Responses (pdf, 0.5 Mb) What have we learned regarding iron biogeochemistry from iron enrichment experiments? by Jun Nishioka, Shigenobu Takeda and W. Keith Johnson Iron dynamics and temporal changes of iron speciation in SERIES by W. Keith Johnson, C.S. Wong, Nes Sutherland and Jun Nishioka Dissolved organic matter dynamics during SEEDS and SERIES experiments by Takeshi Yoshimura and Hiroshi Ogawa Formation of transparent exopolymer particles during the in-situ iron enrichment experiment in the western subarctic Pacific (SEEDS) by Shigenobu Takeda, Neelam Ramaiah, Ken Furuya and Takeshi Yoshimura Atmospheric measurement by Mitsuo Uematsu 3.4 Prediction from Models (pdf, 0.3 Mb) Modelling iron limitation in the North Pacific by Kenneth L. Denman and M. Angelica Peña A proposed model of the SERIES iron fertilization patch by Debby Ianson, Christoph Voelker and Kenneth L. Denman 4. LIST OF PARTICIPANTS FOR THE 2004 WORKSHOP (pdf, < 0.1 Mb) APPENDIX 1 Report of the 2000 Planning Workshop on Designing the Iron Fertilization Experiment in the Subarctic Pacific (pdf, 1 Mb) APPENDIX 2 Terms of Reference for the Advisory Panel on Iron fertilization experiment in the subarctic Pacific Ocean (pdf, < 0.1 Mb) APPENDIX 3 Historical List of Advisory Panel Members on Iron fertilization experiment in the subarctic Pacific Ocean (pdf, < 0.1 Mb) APPENDIX 4 IFEP-AP Annual Reports (pdf, 0.1 Mb) APPENDIX 5 PICES Press Articles (pdf, 0.6 Mb) (194 page document)

Territorialización de la justicia en el País Vasco a fines de la Edad Media

[ES]En este artículo se realiza un repaso por la organización de la justicia (corpus, instancias...)en el territorio del Señorío de Vizcaya (País Vasco) en la Edad Media.

Relaciones comerciales entre puertos franceses y guipuzcoanos en las décadas finales del siglo XVI y la primera mitad del siglo XVII: síntoma de vitalidad económica

[ES]El presente trabajo presenta una fuente documental infrautilizada, la de los libros de manifestaciones, que representa un interesantísimo instrumento de estudio para el conocimiento de la realidad comercial e industrial de la Guipúzcoa de los siglos XVI y XVII. Esta documentación permite matizar algunas de las afirmaciones que durante décadas han venido marcando la historiografía vasca sobre la tan manida “crisis del siglo XVII”, más en consonancia con los criterios que en los últimos años se vienen imponiendo en los ámbitos español y europeo. Las relaciones comerciales con puertos, principalmente franceses, que se pueden seguir a través de las mencionadas fuentes permiten seguir los fluidos intercambios y las llegadas de cereales y bastimentos, así como la salida de hierro y moneda desde algunos de los principales puertos guipuzcoanos. Una de las principales conclusiones es que la exportación de hierro a los puertos franceses tuvo continuidad a fines del siglo XVI y principios del siglo XVII

Superstición y brujería en el Duranguesado a fines de la Edad Media: ¿Amboto 1507?

[ES] En este investigación se analiza el rico mundo de las supersticiones, de la magia, de la hechicería y de la brujería vasca medieval, centrándose especialmente en el foco de brujería que afectó a la comarca del Duranguesado y que ha pasado a la historiografía y a la tradición popular bajo el sobre nombre de brujas del Amboto.

Microstructure Evolution of Laser Pulse processed Ductile Iron Surface

Pulsed laser beam was used to modify surface processing for ductile iron. The microstructures of processed specimen were observed using optical microscope (OM). Nanoindentation and micro-hardness of microstructures were measured from surface to inner of sample. The experimental results show that, modification zone is consisted of light melted zone, phase transformation hardening area and transient area. The light melt area is made up of coarse dendrite crystalline with a thickness less than 20um, phase transformation hardening area mainly of laminal or acicular martensite, retained austenite and graphite, i.e. M+A prime+ G. The cow-eye microstructure around graphite sphere always is formed in phase transformation hardening area zone, which consisting of a variety structure with the distance from the surface. So, it maybe as a obvious sign distinguishing modification zone border. Finally, the microstructures evolution of laser pulse processed ductile iron was analyzed coupling with beam energy distribution in space and laser pulse heating procession characteristics. The analysis shows that energy distribution of laser pulse has an important effect on microstructure during laser pulse modified ductile iron. Multi-scale and interlace arrangement are the important features for laser pulse modified ductile iron. Of microstructure.

Implementación de algoritmos de Inteligencia Swarm con fines didácticos

Con este proyecto hemos querido proporcionar un conjunto de recursos útiles para la impartición de un curso de Swarm Intelligence enfocado a la Particle Swarm Optimization (PSO). Estos recursos constan de una aplicación en NetLogo para poder experimentar, ejecutar y visualizar los diferentes modelos de la PSO, un review de la Swarm Intelligence profundizando en la PSO y una ontología de PSO que incluye los recursos bibliográficos necesarios para la investigación y la escritura de artículos.

Measurements Of In Situ Stress And Mining-Induced Stress In Beiminghe Iron Mine Of China

In order to obtain the distribution rules of in situ stress and mining-induced stress of Beiminghe Iron Mine, the stress relief method by overcoring was used to measure the in situ stress, and the MC type bore-hole stress gauge was adopted to measure the mining-induced stress. In the in situ stress measuring, the technique of improved hollow inclusion cells was adopted, which can realize complete temperature compensation. Based on the measuring results, the distribution model of in situ stress was established and analyzed. The in situ stress measuring result shows that the maximum horizontal stress is 1.75-2.45 times of vertical stress and almost 1.83 times of the minimum horizontal stress in this mineral field. And the mining-induced stress measuring result shows that, according to the magnitude of front abutment pressure the stress region can be separated into stress-relaxed area, stress-concentrated area and initial stress area. At the -50 m mining level of this mine, the range of stress-relaxed area is 0-3 m before mining face; the range of stress-concentrated area is 3-55 m before mining face, and the maximum mining-induced stress is 16.5-17.5 MPa, which is 15-20 m from the mining face. The coefficient of stress concentration is 1.85.

Electronic structure and phonon thermodynamics of iron alloys

Inelastic neutron scattering (INS) and nuclear-resonant inelastic x-ray scattering (NRIXS) were used to measure phonon spectra of FeV as a B2- ordered compound and as a bcc solid solution. Contrary to the behavior of ordering alloys studied to date, the phonons in the B2-ordered phase are softer than in the solid solution. Ordering increases the vibrational entropy, which stabilizes the ordered phase to higher temperatures. Ab initio calculations show that the number of electronic states at the Fermi level increases upon ordering, enhancing the screening between ions, and reducing the interatomic force constants. The effect of screening is larger at the V atomic sites than at the Fe atomic sites.

The phonon spectra of Au-rich alloys of fcc Au-Fe were also measured. The main effect on the vibrational entropy of alloying comes from a stiffening of the Au partial phonon density of states (DOS) with Fe concentration that increases the miscibility gap temperature. The magnitude of the effect is non- linear and it is reduced at higher Fe concentrations. Force constants were calculated for several compositions and show a local stiffening of Au–Au bonds close to Fe atoms, but Au–Au bonds that are farther away do not show this effect. Phonon DOS curves calculated from the force constants reproduced the experimental trends. The Au–Fe bond is soft and favors ordering, but a charge transfer from the Fe to the Au atoms stiffens the Au–Au bonds enough to favor unmixing. The stiffening is attributed to two main effects comparable in magnitude: an increase in electron density in the free-electron-like states, and stronger sd-hybridization.

INS and NRIXS measurements were performed at elevated temperatures on B2-ordered FeTi and NRIXS measurements were performed at high pressures. The high-pressure behavior is quasi- harmonic. The softening of the phonon DOS curves with temperature is strongly nonharmonic. Calculations of the force constants and Born-von Karman fits to the experimental data show that the bonds between second nearest neighbors (2nn) are much stiffer than those between 1nn, but fits to the high temperature data show that the former softens at a faster rate with temperature. The Fe–Fe bond softens more than the Ti–Ti bond. The unusual stiffness of the 2nn bond is explained by the calculated charge distribution, which is highly aspherical and localized preferentially in the t2g orbitals. Ab initio molecular dynamics (AIMD) simulations show a charge transfer from the t2g orbitals to the eg orbitals at elevated temperatures. The asphericity decreases linearly with temperature and is more severe at the Fe sites.

Sound velocities and equation of state of iron-rich (Mg,Fe)O

Ultralow-velocity zones (ULVZs) are small structures at the base of the mantle characterized by sound velocities up to 30% lower than those of surrounding mantle. In this thesis, we propose that iron-rich (Mg,Fe)O plays a key role in the observed sound velocities, and argue that chemically distinct, iron-enriched structures are consistent with both the low sound velocities and the measured shapes of ULVZs.

Catalytic conversion of nitrogen to ammonia by an iron model complex

Threefold symmetric Fe phosphine complexes have been used to model the structural and functional aspects of biological N₂ fixation by nitrogenases. Low-valent bridging Fe-S-Fe complexes in the formal oxidation states Fe(II)Fe(II), Fe(II)/Fe(I), and Fe(I)/Fe(I) have been synthesized which display rich spectroscopic and magnetic behavior. A series of cationic tris-phosphine borane (TPB) ligated Fe complexes have been synthesized and been shown to bind a variety of nitrogenous ligands including N₂H₄, NH₃, and NH₂-. These complexes are all high spin S = 3/2 and display EPR and magnetic characteristics typical of this spin state. Furthermore, a sequential protonation and reduction sequence of a terminal amide results in loss of NH₃ and uptake of N₂. These stoichiometric transformations represent the final steps in potential N₂ fixation schemes.

Treatment of an anionic FeN₂ complex with excess acid also results in the formation of some NH₃, suggesting the possibility of a catalytic cycle for the conversion of N₂ to NH₃ mediated by Fe. Indeed, use of excess acid and reductant results in the formation of seven equivalents of NH₃ per Fe center, demonstrating Fe mediated catalytic N₂ fixation with acids and protons for the first time. Numerous control experiments indicate that this catalysis is likely being mediated by a molecular species.

A number of other phosphine ligated Fe complexes have also been tested for catalysis and suggest that a hemi-labile Fe-B interaction may be critical for catalysis. Additionally, various conditions for the catalysis have been investigated. These studies further support the assignment of a molecular species and delineate some of the conditions required for catalysis.

Finally, combined spectroscopic studies have been performed on a putative intermediate for catalysis. These studies converge on an assignment of this new species as a hydrazido(2-) complex. Such species have been known on group 6 metals for some time, but this represents the first characterization of this ligand on Fe. Further spectroscopic studies suggest that this species is present in catalytic mixtures, which suggests that the first steps of a distal mechanism for N₂ fixation are feasible in this system.

A Study on iron-based amorphous alloys : alloy development, thermodynamics and soft magnetism

Metallic glass has since its debut been of great research interest due to its profound scientific significance. Magnetic metallic glasses are of special interest because of their promising technological applications. In this thesis, we introduced a novel series of Fe-based alloys and offer a holistic review of the physics and properties of these alloys. A systematic alloy development and optimization method was introduced, with experimental implementation on transition metal based alloying system. A deep understanding on the influencing factors of glass forming ability was brought up and discussed, based on classical nucleation theory. Experimental data of the new Fe-based amorphous alloys were interpreted to further analyze those influencing factors, including reduced glass transition temperature, fragility, and liquid-crystal interface free energy. Various treatments (fluxing, overheating, etc.) were discussed for their impacts on the alloying systems' thermodynamics and glass forming ability. Multiple experimental characterization methods were discussed to measure the alloys' soft magnetic properties. In addition to theoretical and experimental investigation, we also gave a detailed numerical analysis on the rapid-discharge-heating-and-forming platform. It is a novel experimental system which offers extremely fast heating rate for calorimetric characterization and alloy deformation.