Browsing by Subject "iron"

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  • Byggmästar, Jesper Johan André; Nagel, Morten Jesper; Albe, Karsten; Henriksson, Krister Olof Edvin; Nordlund, Kai Henrik (2019)
    We present an analytical bond-order potential for the Fe-O system, capable of reproducing the basic properties of wustite as well as the energetics of oxygen impurities in alpha-iron. The potential predicts binding energies of various small oxygen-vacancy clusters in alpha-iron in good agreement with density functional theory results, and is therefore suitable for simulations of oxygen-based defects in iron. We apply the potential in simulations of the stability and structure of Fe/FeO interfaces and FeO precipitates in iron, and observe that the shape of FeO precipitates can change due to formation of well-defined Fe/FeO interfaces. The interface with crystalline Fe also ensures that the precipitates never become fully amorphous, no matter how small they are.
  • Byggmästar, J; Granberg, F; Sand, A E; Pirttikoski, A; Alexander, Rebecca; Marinica, M. C.; Nordlund, K (2019)
    Overlap of collision cascades with previously formed defect clusters become increasingly likely at radiation doses typical for materials in nuclear reactors. Using molecular dynamics, we systematically investigate the effects of different pre-existing self-interstitial clusters on the damage produced by an overlapping cascade in bcc iron and tungsten. We find that the number of new Frenkel pairs created in direct overlap with an interstitial cluster is reduced to essentially zero, when the size of the defect cluster is comparable to that of the disordered cascade volume. We develop an analytical model for this reduced defect production as a function of the spatial overlap between a cascade and a defect cluster of a given size. Furthermore, we discuss cascade-induced changes in the morphology of self-interstitial clusters, including transformations between 1/2<111> and <100> dislocation loops in iron and tungsten, and between C15 clusters and dislocation loops in iron. Our results provide crucial new cascade-overlap effects to be taken into account in multi-scale modelling of radiation damage in bcc metals.
  • Leskinen, Anumaija; Tanhua-Tyrkkö, Merja; Salminen-Paatero, Susanna; Laurila, Julia; Kurhela, Kristian; Hou, Xiaolin; Bruzell, Filippa; Suutari, Tommy; Kangas, Satu; Rautio, Satu; Wendel, Cato Christian; Bourgeaux-Goget, Marie; Stordal, Solveig; Moussa, Joe; Isdahl, Ingunn; Gautier, Celine; Laporte, Elodie; Giuliani, Margaux; Bubendorff, Jacques; Fichet, Pascal (NKS Secretariat, 2021)
    NKS Report Series
  • Sahra, Mia (Helsingin yliopisto, 2019)
    Kivennäis- ja hivenaineet ovat lypsylehmälle välttämättömiä elintoimintojen ja tuotannon ylläpitoon. Härkäpavun siementä voidaan käyttää valkuaisen lähteenä ja koko kasvustoa säilörehuna, mutta niiden hivenainekoostumusta ei tunneta yhtä hyvin kuin rypsirouheen ja nurmisäilörehun. Tutkimuksessa verrattiin lypsylehmän kivennäis- ja hivenaineiden saantia ja sulavuutta härkäpapusäilörehusta ja härkäpavun siemenestä nurmisäilörehuun ja rypsirouheeseen. Tutkielmassa tarkasteltiin kahta koetta, jotka oli tehty Viikin opetus- ja tutkimustilalla vuosina 2014 ja 2015. Molemmissa kokeissa oli 8 Ayrshire-rotuista lypsylehmää. Kokeet toteutettiin kaksinkertaisina 4x4 latinalaisina neliöinä, joissa oli neljä ruokintaa neljänä kolmen viikon jaksona. Koeasetelmat olivat 2x2 faktoriaalisia. Ensimmäisessä kokeessa faktoreina olivat säilörehun kasvilaji (nurmi tai 1:1 nurmi+härkäpapu-kevätvehnä) ja väkirehun raakavalkuaispitoisuus (175 tai 200 g/kg ka). Toisessa kokeessa faktoreina olivat valkuaistäydennys eri lähteistä (rypsirouhe tai härkäpapu), sekä näiden osittainen korvaaminen Spirulina platensis mikrolevällä. Kokeen 2 koeruokinnat olivat isonitrogeenisiä valkuaisrehujen suhteen. Kokeessa 2 kaikissa koeruokinnoissa oli sama pitoisuus kaupallista kivennäisrehua ja kokeessa 1 kivennäislisä oli täysrehuissa. Härkäpapusäilörehuseos sisälsi enemmän kivennäisaineita, mutta vähemmän hivenaineita kuin nurmisäilörehu. Härkäpavun siemen sisälsi 70 % enemmän kuparia kuin rypsirouhe. Härkäpapusäilörehuseos lisäsi eri kivennäisaineiden saantia 1-6 %, mutta vähensi hivenaineiden, kuten raudan ja mangaanin saantia 5-7 % verrattuna nurmisäilörehuun. Härkäpavun siemen lisäsi kuparin saantia 9 %, mutta pienensi magnesiumin, rikin, raudan, mangaanin ja seleenin saanteja 2-14 % verrattuna rypsirouheeseen. Härkäpavun lisääminen ruokintaan kokoviljasäilörehuna tai kokonaisena siemenenä ei vaikuttanut kivennäis- tai hivenaineiden sulavuuteen. Härkäpapusäilörehu tai härkäpavun siemen eivät eronneet merkittävästi nurmirehusta tai rypsistä hivenaineiden lähteinä. Härkäpapu ei sisältänyt mitään kivennäis- tai hivenainetta haitallisen suurta tai hälyttävän pientä määrää.
  • Heikkinen, Kaisa; Saari, Markus; Heino, Jani; Ronkanen , Anna-Kaisa; Kortelainen, Pirkko; Joensuu, Samuli; Vilmi, Annika; Karjalainen, Satu Maaria; Hellsten, Seppo; Visuri, Mika; Marttila, Hannu (Elsevier, 2022)
    Science of the Total Environment
    Iron (Fe) is an important element in aquatic ecosystems worldwide because it is intimately tied with multiple abiotic and biotic phenomena. Here, we give a survey of manifold influences of Fe, and the key factors affecting it in the boreal catchments and their waters. It includes the perspectives of biogeochemistry, hydrology, ecology, and river basin management. We emphasize views on the dynamics and impacts of different forms of Fe in riverine environments, including organic colloids and particles, as well as inorganic fractions. We also provide perspectives for land use management in boreal catchments and suggest guidelines for decision making and water management. Based on our survey, the main emphases of water protection and management programs should be (i) prevention of Fe mobilization from soil layers by avoiding unnecessary land-use activities and minimizing soil disturbance in high-risk areas; (ii) disconnecting Fe-rich ground water discharge from directly reaching watercourses; and (iii) decreasing transport of Fe to watercourses by applying efficient water pollution control approaches. These approaches may require specific methods that should be given attention depending on catchment conditions in different areas. Finally, we highlight issues requiring additional research on boreal catchments. A key issue is to increase our understanding of the role of Fe in the utilization of DOM in riverine food webs, which are typically highly heterotrophic. More knowledge is needed on the metabolic and behavioral resistance mechanisms that aquatic organisms, such as algae, invertebrates, and fish, have developed to counter the harmful impacts of Fe in rivers with naturally high Fe and DOM concentrations. It is also emphasized that to fulfil the needs presented above, as well as to develop effective methods for decreasing the harmful impacts of Fe in water management, the biogeochemical processes contributing to Fe transport from catchments via rivers to estuaries should be better understood.
  • Mattila, Markus; Hakola, Leena; Niinisto, Sari; Tapanainen, Heli; Takkinen, Hanna-Mari; Ahonen, Suvi; Ilonen, Jorma; Toppari, Jorma; Veijola, Riitta; Knip, Mikael; Virtanen, Suvi M. (2021)
    Our aim was to study the associations between maternal vitamin C and iron intake during pregnancy and the offspring's risk of developing islet autoimmunity and type 1 diabetes. The study was a part of the Finnish Type 1 Diabetes Prediction and Prevention (DIPP) prospective birth cohort including children genetically at risk of type 1 diabetes born between 1997-2004. The diets of 4879 mothers in late pregnancy were assessed with a validated food frequency questionnaire. The outcomes were islet autoimmunity and type 1 diabetes. Cox proportional hazards regression analysis adjusted for energy, family history of diabetes, human leukocyte antigen (HLA) genotype and sex was used for statistical analyses. Total intake of vitamin C or iron from food and supplements was not associated with the risk of islet autoimmunity (vitamin C: HR 0.91: 95% CI (0.80, 1.03), iron: 0.98 (0.87, 1.10)) or type 1 diabetes (vitamin C: 1.01 (0.87, 1.17), iron: 0.92 (0.78, 1.08)), neither was the use of vitamin C or iron supplements associated with the outcomes. In conclusion, no association was found between maternal vitamin C or iron intake during pregnancy and the risk of islet autoimmunity or type 1 diabetes in the offspring.