Magneto-structural coupling

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Magneto-structural coupling
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Magneto-structural coupling: APMS conference
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A lecture given by Igor Abrikosov, at the Adventures in the Physical Metallurgy of Steels (APMS) conference held in Cambridge University. The emphasis is on how magentic properties play a role in the properties of iron. Ab initio simulations based on the Density Functional Theory (DFT) are known as a useful tool for prediction of materials properties and for their understanding. In this talk we review recent progress in applications of DFT for Fe-based alloys. We underline a necessity to take into account explicitly temperature induced magnetic excitations. We show that magnetic and chemical interaction in Fe-based alloys are deeply interconnected, and strongly affect each other. We start with relatively simple examples, and show that there exists very strong dependence of thermodynamic properties, like elastic constants, structural distortions, and mixing enthalpies, on the underlying magnetic state in Fe alloys with Cr, Mn, Ni, V, Nb, C, and N. We then show that effective chemical interactions in steels can be tuned by its global magnetic state, which opens exciting possibilities for materials synthesis. Using first-principles theory we demonstrate that in Fe-Si system the magnetic disorder at high temperatures favour a formation of cubic Fe2Si phase with B2 crystal structure, which is not present in the alloy phase diagram. The experiment confirms the theoretical predictions, and the B2 Fe2Si alloy is synthesized from Fe-Si mixture using multianvil press.
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you I don't the thank you very much for the Nextel is going to be given by the go up because some had originated from Russia from the city's beleaguered now called the National University of Science and Technology but then not in Sweden in and in magnetic properties of the is the essence of the year and there are so many unsolved problems problems in the magnetic properties of 1 of which he has held that there is a long way to go it's not clear that yes and I think a very much carrier as so 1st of all I would like to to prevent you for inviting me he actually you told us that you had no problems so far
of generating support for your confidence so basically everybody said yes and within minutes and I don't know how difficult it was for you to assemble relatives but the list in my case he didn't do a little more than a minute or 2 depending upon given limited figurative plastic Chretien might presentation is
about magnetic properties of steel and I am doing here actually in quantum-mechanical calculations of what was done in collaboration with Mike
was at bottom after only Universidad undertone upon the Motorola from almost instant of steel and alloys I have but of course I would like to acknowledge the other people who were involved in his research
under Rule 1 purpose of the luster of the registered to the writings that limit the opera Young the willingness and the onset of the letters sent my stance of the Swedish Foundation for Strategic Research misleading research council and I am doing computation is my main so I would like to acknowledge the national infrastructure for computing let me give a true to
all my presentation beach I submitted to the before it was very hot and that
I have given introduction on having simulation of Ireland-based alloys I've sure about money and structural copying gives a new possibility of what you design
it is used the bottom of my provocative statements that I a of of the subject that for this conference I tried to illustrate the universality of juridical near the methods by giving different examples either short or compilation of Nixon and the use of firearms program Ellison born battle problem analysts have talked about the study's author of power because of a margin of an idea and know them and cut electric like precipitations unit in Austin I I'm sure Parliament influence faced Rhodesian offer irony can only on and that I will also give an example of enviable able to synthesize new material by by tuning his magnetic states by by
synthesizing people face off to see I hope we have time to make a conclusion about the main
task for me he said have these communities that that he really is is a useful thing and the other main goal is to have is actually do to shorten the time for material and I think that by using the unit has agreed with unit fulfill this time as much as the factor of 2 you probably have a problem said these type of graphs Maine at times because if I wanted to
do material designed the type of presentation which will be in the previous 4 of example I want to discard their designs useful you for nuclear reactors although cannot do and my quantum-mechanical calculations
are at least that's all that best state of the art idea offer all involving good you ease of the so-called multiscale approach that I do quantum-mechanical calculations for several hundreds of thousands and determine the renowned parameters like Energis elastic properties and the atomic interaction and
provided for high-level models like general geological statistical models that simulate face the beat it is properly free energies and provides Fidelity's information for for even higher level continuous model like face the assimilation Rademaker structure can be can be simulated etc. etc. opted engineering level our bad about about them but the parameters and knowledge knowledge generated before it is used and by the way I
just want to talk to point out that my IRA over research at least some of you have all which is what he has so I'm working quantum-mechanical calculations and the Commission said the scheme is a
state of the art but it's a little bit a little bit date of what would have realised now that it takes to make time to go all these chains because it reflects that their traditional idea and
traditional views on all 4 of material designed basically you have you had a property teaching to optimize and you have an idea for the material are garbage that you want to create and you just this material in addition to experiment you can nowadays do you budget best is material as you see that works and that most probably doesn't work when you hope to go back and reiterate and rhetoric and reiterated his practice the new wastes annually or of using the duty argument by the soulful high-throughput type of fight computations where
you able to identify the level parameter for you all your material and vans can juridical experimentally all available materials were pretty quickly because reports on operated pretty pretty fast are due to to find the best material which each optimize before strong but the main problem with this approach ease but that we have to find a good set of parameters to optimize all the so-called discrete and let the program to scan the copilot of explicitly I'm sure you for example that a young mothers all shareholders in the calculated where about harmless staffers and are things we can begin to much at this point direct
that they even even more the promising conveyed by our beach which we are working now is is given by a setting copper the competition database that were
designed the traditional approach has has another drawback but it requires information on genes between your additions and experimental so they
have to work together so people will know all the material in all programs have find a usual candle population it's Wright said but but they have half of start to think about using combination is really easy to create a competition databases off parameters each had
11 for the material world imagine how how how nice it would be for you to go go beyond model at all IRA campus and promised 5 per cent rate the and to get these young
mothers as a function of temperature because elated that the quality of comparable to experimental accused Seoul these opens a new way for material designed because those people who knows how to design materials engineers can use the parameters calculated by experts even in that particular work so I would say that other good for juridical population now is to find a level but to be able to predict and public 11 parameters at released condition and buried the conditions I mean that in most compilations are absent from the use of the EU's very approximate vision of maturity because I had to rule on high density functional theory in the desert future of officials about the middle
rights In 1998 so it's very powerful theory but it it allows us to take a speaking to the compilation of the temple so if if if I
calculate elastic Robinson will most probably a couple you 0 0 temperature elastic properties if I put it in the database how nice it would be use these 0 temperature elastic constants in in in estimating that growth and faith transformations and the stresses which I am your material at 1500 can also saw the task for me is not to learn how to calculate music label on monitors at released a condition the subject of the store book is partly related to the surrealistic conditions and wants to minorities so
density functional theory was Graham was formulated in 90 65 4 by hundreds of about 100 quantum ramble goodbye :colon charm and said it's very powerful you Noble Prize was awarded to but I
think it's 1978 the he is very important day for 4 4 2 editions because of this idea general younger comedians published that famous Bucanan Islamist movement was a gruff baby show about any adjustable parameter Weber able accurately
calculate Atlantic waters will be Wednesday's riders cohesive energies and barking orders or Fiji and for the transition metals and achieved very nice agreement with experiment in
these glass I underlined the extent of my shade Eric Kandel which include stronger Monday forward and make it despite the great success over compilations by Maruti together convenience for all other materials results for these and romance
of and that's all nite and it was realized from the very beginning that that that the problem was about these I'm magnetic elements all elements on the data can you to give very good results of the comparison with experiment
but the magnetic elements in this area compilation monarchies was not taken into account that agreement an agreement was actually quite
up and just to show you what we can do much better nowadays with magnetic materials I the graph on
calculations which were published in these yet in in collaboration with other Afghan groups that been copilot young mothers off Ireland in its analysis before before the fuck remember always acted was authentic economic competence in these elements
under an agreement between juridical results in populations which are shown here in the open circles for
young mothers as a function of composition of Parliament always in undemanding steals the IRA demanding his return to work free under
agreement with another indentation experiment done by a local ranchers is actually matter very impressive so so so evenly that was
admitted to the proper later relented materials parameters before of almost 1 hour on the cutest as good as the event can achieve in experiment but but
once again to achieve this quantity of arriving at school to use the need to use registered conditions and the the I will concentrate on on Monday evening and look at the head the syndicated and the city of Irun below with experiment
that but also all magnetic moment in Ireland Opel and better the chat but
but but he sliced peaches Is there is also is actually there wasn't only at at 0 10 if you start to to heat up the heat sample magnetic moment start do so in the 1st and
that and the belief that the temperature all looking for moments Opel in different directions also
vigorously defended magnetic State Department antics and the difference between this arrangement in this arrangement was often ignored theoretical simulations I'll show you during the storm but if you if you take into
account these differences you can you can much more reliable calculated parameters of the end of the picture has has further simplifications now suffer from from the fact that but movies will not recommend that and and that but it's not only the basic living subject suffered from the fact that there's a lot of amended the goes on in practice both items were great and
magnetic moments seat in the an American position but they have been holding so these
motions also need to be included in the relations are more talk about it too much to think about half the field system as so simplification so I'm going to talk about disorder at magnetism
and as a centre-half parliament expected that all the magnetic moments are pointed in different directions and they change all the time
of the murder which was extremely successful in describing these disorders magnetism is called the so-called disorder at local environment you substitute his life each over moving magnetic moments by a by
static feature of sordid moments .period them up or down In the end fashion of the middle goes back to talk about the size of our great traditions and the of its practical implementation review was the right privilege also British visitors who passed away last year
which and how I'm going to additional their obligations In the copulating go 1st and I'll concede that haven't won lawyers
the of was based for very many important industrial steels and material generator uses sliding materials in in the fast reactors and it is known that led Maryland steals the fact that the presence of quantum version of of nice properties various stable where a
and and very good but the was original all 4 of these nice properties off campus and from was not was not well under about this there was a lot of simulations the paired off for the deals but I would like to load to call your attention to the fact that half of all the weekend temperament amenable available experiment so the this this is
all the different highly the Chechens Nixon entered the offer had been no apparent chromium alloys actually it's there it's through it's still I 4 phases with the city and former allies
are and he chose that the tendency to do indeed he looks older Nixon and the bees quantitative Overbay and it's pretty much symmetric but I I would like to underline that these experiment was taken at the 16 from 100 Canada still up here at the phase
diagram shown by the line
and it's definitely it because there could be temperature for Ireland eat he's taken in this Parliament I however
operational temperature for reactors is about 800 kilometres marks all the odds still uniformity so is less about the use of these Nixon ended in ice and bottled water for understandable because all our world and are begin to
compilations of emission and that this can be calculated nowadays analog go into details of this population they can define and papers which site him
up about about the magma local follows very short this graph shows the public meeting ended there as a function of formal composition and it shows compilations for up to 2 cases the view color indicate compilations down in the bottom magnetic statement little moments disorder it and when we had to a line that symbols and black symbol indicates compilation them in a fair that it that all monitor moments are literate after the
view a lot Dubuque was hardly can be land can compete with the 1st experiment From harmonizes can handle and this is a typical Akira still 5 initial compilations so you can see that nowadays Nixon and that this can be accomplished really really have a very very very high accuracy I use as an interim units yet was Artemisia probably not but for for 4 people so if you want killer joys you have multiplied his number of Hungary the area so we are able to reproduce his license by the board and behavior in a prominent but in
effect a magnetic status qualitatively different behind the seabed Livingston entered the exit embarrassed long deviation from the Emirates on a solution and
the and then I'll be that I chromium alloys are particularly stable at at 10 % at 10 % compositions that the mission ended is actually negative and members able to will to experiment and find an indication that but he is it's really true so this is where the
problem of things but can do with the removal of for the next generation of reactors people outright loitered beginning Monday as and when you don't begin to
compilation and is this man elements it's from the initial point of view it's definition not the problem will form the binary to monitor component and we can see how this elements infringements and entertainment particularly severe stability is significantly reduced and the tendency
analytical positions due to the delay criminal composition that let me give you another example of how calculations he's a
the populations of impurities and solution managers often know little about the idea of carbon and nitrogen
of each with very important role in carbonate formation and that interested in in the system in Austin which is at the CIA and insisted East Isparta magnetic so once again we are dealing with
disordered magnetism our and magnetic moments of light so we had to do would be to describe this picture had to do to develop a new model and each is a supercell organization of local moment model are
basically conceded the system if the disorder position all of the dissident distribution of magnetic moments and then it takes a carbon impurity put it in the hope that the sides and then go all the entire system putting this carbon up in different magnetic environments also eat it corresponds to that of a situation where that item carbon atom experience and realignment it's magnetic environment changes a lot and compilation shows that the energetics of energy for independence on on the seats but because these changes somewhere faster have to average all possible distribution and in
this stable I caught about the final results for all impurity solution and isn't that I would like to call your attention to what we call on beaches our best type of compilations of his his coalition ritual horrible theory can be it did all in the main
effects into account and then they can compete to experiment and have experimented the fine for carbon and from that region of the conceivably can pretty much well represent friends
up there is little difference between the calculated and experimental Eureka solution managers about
how important is this difference who is up to own up to it in the engineer stood at 2 0 2 2 0 0 2 0 to understand but I want to show for example not all that parameters that you want us to populate Jesus son beauty
product for of an idea from the wizened monitor electrical load of of right in an Austinite calculated based on of these models and celebrities a product represents the much repair the maximum similar product of composition of carbon and they're all nite gentlemen or 100 milligrams Beach
Beach is still dissolved in there in evening in Austin I you exceed his brother you update your obtained precipitates out here
all compilation shown a red line and the different experiments are shown in and media and inconceivable all compilation of our best at this point RBI
in in very good agreement with experiment for vanadium little before you were you know let me move to the final but or folly to walk in there there are unsure about that using the magnetism of began begin influence interatomic interaction and the use of the opportunity to design new material that's these abuses
experimental phase diagram for firing tell unfair particularly interested in Panama only make free IRA beach the beach accidents although that disorder transition at 516 degrees Celsius which is just 100 units since last abandoned their magnetic phase transition in the system becomes Parliament so said
basically if if I want to win about the system of computer order at the magnetic moments I have to the population somebody here at 0 temperature for completely disorder at more than 1 meter showed you before I would be here but my natural transition happens it happens when moment that a woman just started this or that a little bit basically in this situation so modernization is used by by 40 cent so I have to you with 6 minutes in the mind of Britain's presence in my system so here have
started but I wanted to show what they do I want to call it is the state's general as you used 3 be models for women that state is part of the answer
answer to your question so if I assume complete some public order of magnitude moments I hope then likable college face also visas and in which part of his job around red dashed line corresponds to the experiment but also issued a combined phase transition temperature by about a free country did if I assume
complete disorder of magnetic moment III and issued by my my my my my family my audits of transition temperature this is active 500 genes at the end all so taken different types of politics or the 500 Kagan in intimidating all the face yeah so only taken white magnetic or that I can produce a figure from correct that ensued it would not be the duty if I can do so consistently so far as to the details the shoulder newspaper
but self-consistent juridical temperature can be complicated and is in good agreement with the experiment so it was important for example before East
back different types of Atletico are would lose its influence that phase transition temperature and that the
ghost of these and try to use In designing new material so this is my final example and then we try to go through it very very quickly so
I'm going to talk about Ireland's silicon phase generals overhead you structure of CD can 19 I'm cynical and Lucita comeback high-temperature hexagonal phase easily all but would be typeface was not known at least very well it is it is not present at least phased out so the deep
compilations of Nixon and the media for these materials even in the bottom the Soviet state and to greater supplies via defined out but the 2 islands silicon is actually the most stable faced if he's in the parliament explained that this is not stable if you you want a system that you free should stable as it is but here they're able to to keep our system Parliament later but when
the ,comma simulations carried out by Hamas short but due on Tuesday to conveys can be synthesized but of course you also have to apply not only temperature but pressure to suppress the 19 of the shoe want have in recent weeks as these faces
meant a stable population sure what it should do decomposing due for the end I'm 5 free phase but it is it should be possible to synthesize it if you use it because if you the citizens at high temperature rarely system is Parliament the vendor of experimental elites and
may be able to synthesize so nice here were so poorly crystallized by single phase samples before composition of fire and see come up and
that these graphs of direct from from the bottom of the table so we can clearly see to come and alliance and again on this on these Russell reverie from our members only hit this season would the composed at the moment the face as it should but the 2
islands to silicon material was synthesized high-pressure items in its right to implement state all the systems are so now my confusion that allow
materials parameters can nowadays panel collated at compatible to experiment but it is essential to carry out some relation is released a condition and temperate induced magnetic exhibition in particular I want and I like to implement stately you would can think
very much the since we the questions soaring and how that fits into your between the disorderly environment the yes ground state senators use scheme you know he's so sold but thought about that for about chemical short-range or academic temperatures can be included evidence of resulting in about the program and there are also in the disarmament Obama compilations of each use about chemical structure explicitly included instrumentation including consideration nominated for French war that is easier to steal that challenge there are several works of are for example and when that were listed on the technology has developed new techniques which probably is Isn't wanting to monitor children to eliminated from the interesting change this year .period the example you think you are definitely have to go beyond the single site situated but they're also going to have to go beyond recruiting year description of this sort of local Mormon picture so before ITT needs to be included in the case of the on going not only the magnetism critical on the Net no-no in terms of comparison experiment at 16 indicated an arbitrary check presented so it was with some of Mormons although it was not about the about the about face transitional magnetically rendition it may contribute to eating it very had when it distinguishable from need to take the money from the government the show interest in the the company and the opening of new determined the I I expect so because if they go from this situation but that the minimum living in a symmetric situation and the change monolithic whether all those remote title monitor or that there is going to be important yes I think so I haven't done this compilation and was unable to the compilation the
origination disagreement between them theory the thing about you years of age essentially saying such is these cancelation that can amendment which does have not but yes yes and then later on
in the shit out of and the yes not and should be addressed in a statistical interview so the statistical Hernandez had asking that Sosa statistical Angela statistics a statistical entropy and is older not included not affected by my by magnetism except some of their interaction between because you can have different bible for chemical short-range order but you have to endure related comparably which is also very interesting questions by reason and very simple model accounting the contraband it's unclear how well this model works and I just think it's the best thing here is that we need answers these assumptions we calculate things like much less in the previously and kind of worries me because I'm wondering if you examples based on using which dependent population by making In the name of the game depends so also in his private community various issues of importance of magnetic and would be is is is a well-known problem and that and magnetic and is included in all properly the face of amusing Democrats the question is how well we describe amenities and their that's that for the and this will be a
very simple question fully designed understatement told that you mentioned in passing the composition of the I'm
friends with him the suggesting this any evidence that the visibility In the I'm French system His attitudes and then at the justifications low yes yes so you remember magnetic nature or body position and I call them he said is well-understood nowadays and that it is related parted with frustration over the problem but monitors determined that schools with his former correct for the is yes that all possible requires about 20 minutes tho
as a student had it would mean what this to get state general endemic to an Austin deceased lies Lissa going back here Google's relate how can I note that the New England life if you're compositions using the nickel is in the 2 years
so 1st of all baby have published replay in 1999 in nature where actually feeling but it's a not to dumb sold by including them locally states into the ground I need to get my collection that is now in London were able to show all but guarantees that even if family of states which you feel that got between became feisty undefined has confirming that it had lost an undetermined stake there are anti-smoking tribution refusal that nowadays able to see what is really going on in the injustice of how to use this knowledge for the design of new irony and alloys so at present there is only 1 way so you should talk to experts say to me meet all the should yes and we can try to do calculations said moralistic conditions are Algerian peas are the set the pick political kind of parameters depending on the extent of his union and you are able to use that the basis for but thank you so what is the
adaptability of the at the U.S. and do no no I
don't the act assigned new
industrial allies who on the basis of our own and Citicorp contains no more than 6 per cent of the city ,comma but
it could explain your interest in the reasons of interests to Ellis high concentration of city ,comma I was my 1st question on the 2nd question is well speaking by speaking about Ellis always on the properties which I it doesn't the depend on the structure you can predict these properties you can predict this again and this spirit parameters of the sellers but and inflict take into account the structural parameters market structure for example how do the House what will be the lead your next step 2 improving calculations I think a very much desirable but a lot of questions so my interest to iron silicon system actually came not from mythology but
from the start is all about growth or of the baby into frozen freely admit the father published the paper which demonstrate
explicitly back pressure induced phase decomposition and Silicon Systems in the formation of the 2 silicon at 2 high pressure which is the 11th floor for the understanding of the so-called you dabble prime land in at the
border between the sordid story liquid and and the mantle of the interest of high high concentration and silicon comes from from where is but the book which I presented now was a kind of aside project valued the I'm very interested in the and then try to understand the inference of magnetism on the stability of enjoyed all 4 of the influence of may prefer to helping Micra structure in my calculations are all
I don't think that they can go much the you want these martyrs scaremongering scheme beaches which I I started my presentation and that
and they're basically to try to compute parameters for for
for each phase began look at the interface is now for example and they can provide these parameters to experts in high-level but there is itself I have this week I was
possible when you mention that the believed to get this it's an art material together being is strongly related to the magnetism doesn't mean that you can't control From magnetism Spain decomposition that's that's
very interesting question our fight by ridicule yes but I don't think that you can do it in practice because all the fields which are available at this point that out to the small advantages scale all 4 of the face yes guests of the president and magnificently differ very different and skillful rhetoric of to do do do small things In borders
thank you very much to go for an accident occur


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