Daniel N. Blaschke, John S. Carpenter, Abigail Hunter
{"title":"Predicting electrical conductivity in bi-metal composites","authors":"Daniel N. Blaschke, John S. Carpenter, Abigail Hunter","doi":"arxiv-2409.04655","DOIUrl":"https://doi.org/arxiv-2409.04655","url":null,"abstract":"Generating high magnetic fields requires materials with not only high\u0000electric conductivity, but also good strength properties in order to withstand\u0000the necessarily strong Lorentz forces. A number of bi-metal composites, most\u0000notably Cu/Nb, are considered to be good candidates for this purpose. Here, we\u0000generalize our previous work on Cu/Nb in order to predict, from theory, the\u0000dependence of electric conductivity on the microstructure and volume fraction\u0000of the less conductive component for a number of other bi-metal composites.\u0000Together with information on strength properties (taken from previous\u0000literature), the conductivity information we provide in this work can help to\u0000identify new promising candidate materials for magnet applications with the\u0000highest achievable field strengths.","PeriodicalId":501234,"journal":{"name":"arXiv - PHYS - Materials Science","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142224528","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jonathan S. Paras, Randy D. Curry, James A. Ohlhausen, Michael J. Abere
{"title":"The Effect of Blue and Infrared Laser Melting Frequency on Oxide Morphology in 304L","authors":"Jonathan S. Paras, Randy D. Curry, James A. Ohlhausen, Michael J. Abere","doi":"arxiv-2408.05144","DOIUrl":"https://doi.org/arxiv-2408.05144","url":null,"abstract":"Continuous Wave Laser Beam (LB) melting offers control over the localized\u0000heating and cooling of melt pools for welding, brazing, additive manufacturing,\u0000and solidification. Research into laser-liquid metal interactions have\u0000primarily focused on the heat and mass transport under large thermal gradients\u0000imposed by the localized melting conditions. However, little research has been\u0000conducted into varying input laser frequency and scan rate at fixed absorption\u0000to understand the effects of laser-light on surface oxide formation. This\u0000article conducts laser melting of 304L under Blue (450 nm) and Infrared (IR,\u00001064 nm) laser frequencies and examines their impact on laser oxide thickness,\u0000chemistry, and coloration. We find that laser frequencies induce changes in the\u0000oxide layer thickness and chemistry that cannot be explained using conventional\u0000thermal absorption shifts and fluid dynamics. We suggest that light coupling\u0000may have thermodynamic implications for the chemical potential of the liquid\u0000metal which may drive the observed phase behavior.","PeriodicalId":501234,"journal":{"name":"arXiv - PHYS - Materials Science","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141948607","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shishir Mundra, Emanuele Rossi, Luka Malenica, Mohit Pundir, Ueli M. Angst
{"title":"Precipitation of corrosion products in macroscopic voids at the steel-concrete interface -- observations, mechanisms and research needs","authors":"Shishir Mundra, Emanuele Rossi, Luka Malenica, Mohit Pundir, Ueli M. Angst","doi":"arxiv-2408.05028","DOIUrl":"https://doi.org/arxiv-2408.05028","url":null,"abstract":"Macroscopic voids at the steel-concrete interface and their degree of\u0000saturation with an aqueous electrolyte are known to play an important role in\u0000the corrosion of steel in reinforced concrete. Irrespective of the exposure\u0000conditions and testing parameters, corrosion products have been reported to\u0000consistently precipitate in a unique pattern within these macroscopic voids,\u0000preferentially along the void walls and growing inward. The underlying\u0000mechanisms governing corrosion product precipitation in macroscopic voids and\u0000their effects on long-term durability remain unclear. Through in-situ X-ray\u0000computed tomography observations, thermodynamic and kinetic considerations, and\u0000numerical modelling of water transport within macroscopic voids, here, we\u0000provide plausible hypotheses of the processes responsible for the precipitation\u0000of corrosion products along the walls of the voids. Understanding the\u0000mechanisms of corrosion product precipitation can offer insights into the\u0000development of stresses in and around the macroscopic interfacial void and the\u0000durability of reinforced concrete structures. This contribution also discusses\u0000opportunities for different avenues for research to elucidate several\u0000multiscale processes that influence the durability of reinforced concrete.","PeriodicalId":501234,"journal":{"name":"arXiv - PHYS - Materials Science","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141948605","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Dislocation-induced flexoelectricity in SrTiO$_3$ nanostructure from first principles","authors":"Kunihiko Yamauchi, Thi Phuong Thao Nguyen, Tamio Oguchi","doi":"arxiv-2408.04985","DOIUrl":"https://doi.org/arxiv-2408.04985","url":null,"abstract":"Flexoelectricity refers to a linear coupling between the electric\u0000polarization and the strain gradient, such as bending or asymmetric\u0000compression. This effect is enhanced in nano-scale structures, where grain\u0000boundaries or dislocation cores induce the strain gradient. In this study, we\u0000theoretically investigate the flexoelectric polarization induced by misfit\u0000dislocations in a thin film. A nano-scale dislocation structure is modeled in a\u0000periodic SrTiO$_3$ supercell, and then the structure is optimized by using\u0000neural-network-potential and first-principles approaches. We point out that a\u0000pyramidal TiO$_5$ coordination forms near the dislocation cores, which in turn\u0000dominantly causes the sizable flexoelectric polarization.","PeriodicalId":501234,"journal":{"name":"arXiv - PHYS - Materials Science","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141948606","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
L. Yang, X. Zhang, H. Wang, N. Lei, J. Wang, Y. Sun, L. Liu, Z. Zhao, Y. Yang, D. Wei, D. Pan, J. Zhao, J. Shen, W. g Zhao, H. Lu, W. Wang, H. Yu
{"title":"Giant interfacial Dzyaloshinskii-Moriya Interaction in perovskite La_{0.7}Sr_{0.3}MnO_{3} films","authors":"L. Yang, X. Zhang, H. Wang, N. Lei, J. Wang, Y. Sun, L. Liu, Z. Zhao, Y. Yang, D. Wei, D. Pan, J. Zhao, J. Shen, W. g Zhao, H. Lu, W. Wang, H. Yu","doi":"arxiv-2408.04959","DOIUrl":"https://doi.org/arxiv-2408.04959","url":null,"abstract":"The Dzyaloshinskii-Moriya interaction (DMI) plays a critical role in\u0000stabilizing topological spin textures, a key area of growing interest in\u0000oxide-based spintronics. While most of reported topological phenomena found in\u0000manganites are related to the bulk-like DMI, the understanding of interfacial\u0000DMI and its origin in oxide interfaces remain limited. Here we experimentally\u0000investigate the interfacial DMI of La_{0.7}Sr_{0.3}MnO_{3} (LSMO) films grown\u0000on various substrates by employing spin-wave propagation with drift velocities\u0000at room temperature. Our findings reveal a giant interfacial DMI coefficient\u0000(mathit{D} _{s}) of 1.96 pJ/m in LSMO/NdGaO_{3}(110) system, exceeding\u0000previously reported values in oxides by one to two orders of magnitude.\u0000First-principles calculations further show that with the aid of 6mathit{s}\u0000electrons, the 4mathit{f} electrons from Nd play a key role in enhancing the\u0000spin-orbit coupling of the 3mathit{d} electrons in Mn, ultimately leading to\u0000the observed giant interfacial DMI. This discovery of giant interfacial DMI\u0000through engineering the interface of oxides provides valuable insights for\u0000advancing functional chiral magnonics and spintronics.","PeriodicalId":501234,"journal":{"name":"arXiv - PHYS - Materials Science","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141948608","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Marius Weber, Stephan Wust, Luca Haag, Akashdeep Akashdeep, Kai Leckron, Christin Schmitt, Rafael Ramos, Takashi Kikkawa, Eiji Saitoh, Mathias Kläui, Libor Šmejkal, Jairo Sinova, Martin Aeschlimann, Gerhard Jakob, Benjamin Stadtmüller, Hans Christian Schneider
{"title":"All optical excitation of spin polarization in d-wave altermagnets","authors":"Marius Weber, Stephan Wust, Luca Haag, Akashdeep Akashdeep, Kai Leckron, Christin Schmitt, Rafael Ramos, Takashi Kikkawa, Eiji Saitoh, Mathias Kläui, Libor Šmejkal, Jairo Sinova, Martin Aeschlimann, Gerhard Jakob, Benjamin Stadtmüller, Hans Christian Schneider","doi":"arxiv-2408.05187","DOIUrl":"https://doi.org/arxiv-2408.05187","url":null,"abstract":"The recently discovered altermagnets exhibit collinear magnetic order with\u0000zero net magnetization but with unconventional spin-polarized d/g/i-wave band\u0000structures, expanding the known paradigms of ferromagnets and antiferromagnets.\u0000In addition to novel current-driven electronic transport effects, the\u0000unconventional time-reversal symmetry breaking in these systems also makes it\u0000possible to obtain a spin response to linearly polarized fields in the optical\u0000frequency domain. We show through ab-initio calculations of the prototypical\u0000d-wave altermagnet RuO$_2$, with $[C_2|C_{4z}]$ symmetry combining twofold\u0000spin rotation with fourfold lattice rotation, that there is an optical analogue\u0000of a spin splitter effect, as the coupling to a linearly polarized exciting\u0000laser field makes the d-wave character of the altermagnet directly visible. By\u0000magneto-optical measurements on RuO$_2$ films of a few nanometer thickness, we\u0000demonstrate the predicted connection between the polarization of an ultrashort\u0000pump pulse and the sign and magnitude of a persistent optically excited\u0000electronic spin polarization. Our results point to the possibility of exciting\u0000and controlling the electronic spin polarization in altermagnets by such\u0000ultrashort optical pulses. In addition, the possibility of exciting an\u0000electronic spin polarization by linearly polarized optical fields in a\u0000compensated system is a unique consequence of the altermagnetic material\u0000properties, and our experimental results therefore present an indication for\u0000the existence of an altermagnetic phase in ultrathin RuO$_2$ films.","PeriodicalId":501234,"journal":{"name":"arXiv - PHYS - Materials Science","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141948603","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Alfredo Fiorentino, Paolo Pegolo, Stefano Baroni, Davide Donadio
{"title":"Effects of colored disorder on the heat conductivity of SiGe alloys from first principles","authors":"Alfredo Fiorentino, Paolo Pegolo, Stefano Baroni, Davide Donadio","doi":"arxiv-2408.05155","DOIUrl":"https://doi.org/arxiv-2408.05155","url":null,"abstract":"Semiconducting alloys, in particular SiGe, have been employed for several\u0000decades as high-temperature thermoelectric materials. Devising strategies to\u0000reduce their thermal conductivity may provide a substantial improvement in\u0000their thermoelectric performance also at lower temperatures. We have carried\u0000out an ab initio investigation of the thermal conductivity of SiGe alloys with\u0000random and spatially correlated mass disorder employing the Quasi-Harmonic\u0000Green-Kubo (QHGK) theory with force constants computed by density functional\u0000theory. Leveraging QHGK and the hydrodynamic extrapolation to achieve size\u0000convergence, we obtained a detailed understanding of lattice heat conduction in\u0000SiGe and demonstrated that colored disorder suppresses thermal transport across\u0000the acoustic vibrational spectrum, leading to up to a 4-fold enhancement in the\u0000intrinsic thermoelectric figure of merit.","PeriodicalId":501234,"journal":{"name":"arXiv - PHYS - Materials Science","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141948609","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zhenlong Zhang, Xuehan Di, Charles Paillard, Laurent Bellaiche, Zhijun Jiang
{"title":"Giant electro-optic and elasto-optic effects in ferroelectric NbOI$_{2}$","authors":"Zhenlong Zhang, Xuehan Di, Charles Paillard, Laurent Bellaiche, Zhijun Jiang","doi":"arxiv-2408.04225","DOIUrl":"https://doi.org/arxiv-2408.04225","url":null,"abstract":"First-principles calculations are performed to investigate the electro-optic\u0000(EO) and elasto-optic effects of the three-dimensional (bulk) and\u0000two-dimensional (monolayer) ferroelectric NbOI$_{2}$. Remarkably large linear\u0000EO and elasto-optic coefficients are discovered in both systems, when under\u0000stress-free conditions. We further found that the EO responses of bulk and\u0000monolayer NbOI$_{2}$ can be further enhanced with epitaxial strain, because of\u0000a strain-driven ferroelectric-to-paraelectric transition that originates from\u0000the softening of some polar optical modes. Our findings thus point out that\u0000NbOI$_{2}$, as well as other niobium oxide dihalides are highly promising for\u0000paving the way for potentially efficient nonlinear optical device applications.","PeriodicalId":501234,"journal":{"name":"arXiv - PHYS - Materials Science","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141969734","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Electrical resistivity, thermal conductivity, and viscosity of Fe-H alloys at Earth's core conditions","authors":"Cong Liu, Ronald Cohen","doi":"arxiv-2408.04521","DOIUrl":"https://doi.org/arxiv-2408.04521","url":null,"abstract":"The transport properties (electrical resistivity, thermal conductivity, and\u0000viscosity) of iron-hydrogen alloy are of great significance in the stability\u0000and evolution of planetary magnetic fields. Here, we investigate the thermal\u0000transport properties of iron doped with varying hydrogen content as functions\u0000of pressure (P) and temperature (T) for the top and bottom of Earth's outer\u0000core and beyond, corresponding to pressures of about 130 to 300 GPa and\u0000temperatures of 4000 to 7000 K. Using first-principles density functional\u0000theory molecular dynamic simulations (FPMD), we verify that crystalline FeH$_x$\u0000is superionic with H diffusing freely. We find a low frequency viscosity of\u000010-11 mPa$cdot$s for liquid Fe-H alloys at Earth's outer core conditions by\u0000the linear response Green-Kubo formula. Using the KKR method within density\u0000functional theory (DFT) plus Dynamical mean-field Theory (DMFT), we find\u0000saturation of electrical resistivity with increasing temperatures in liquid\u0000iron at outer core conditions. The effect of H on electrical and thermal\u0000transport we find is small, so that the exact H content of the core is not\u0000needed. The primary effect of H is on the equation of state, decreasing the\u0000density at constant P and T. We find the Lorenz number is smaller than the\u0000ideal value, and obtain for X(H)= 0.20, or 0.45 wt% H , thermal conductivity\u0000$kappa$ of $sim$105 and $sim$190 $Wm^{-1}K^{-1}$, respectively, at\u0000conditions near the core-mantle and inner-outer core boundary.","PeriodicalId":501234,"journal":{"name":"arXiv - PHYS - Materials Science","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141948610","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tadataka Watanabe, Kazuya Takayanagi, Ray Nishimura, Yoshiaki Hara, Dharmalingam Prabhakaran, Roger D. Johnson, Stephen J. Blundell
{"title":"Hidden elastic softness of low-symmetry frustrated $A$Ti$_2$O$_5$ ($A$ = Co, Fe)","authors":"Tadataka Watanabe, Kazuya Takayanagi, Ray Nishimura, Yoshiaki Hara, Dharmalingam Prabhakaran, Roger D. Johnson, Stephen J. Blundell","doi":"arxiv-2408.03783","DOIUrl":"https://doi.org/arxiv-2408.03783","url":null,"abstract":"Orthorhombic pseudobrookites CoTi$_2$O$_5$ and FeTi$_2$O$_5$ have a\u0000low-symmetry crystal structure comprising magnetic Co$^{2+}$/Fe$^{2+}$ ions and\u0000nonmagnetic Ti$^{4+}$ ions, where the orbital-nondegenerate Co$^{2+}$/Fe$^{2+}$\u0000ions form one-dimensional chains running along the orthorhombic $a$ axis. These\u0000compounds undergo an antiferromagnetic phase transition at $T_N sim$ 26 K for\u0000CoTi$_2$O$_5$ and $T_N sim$ 40 K for FeTi$_2$O$_5$. We perform ultrasound\u0000velocity measurements on single crystals of CoTi$_2$O$_5$ and FeTi$_2$O$_5$.\u0000The measurements of these compounds reveal that the symmetry-lowering elastic\u0000modes of shear elastic moduli exhibit unusual elastic softness in the\u0000paramagnetic phase above $T_N$. This elastic softness indicates the presence of\u0000spin-lattice-coupled fluctuations above $T_N$ that should be a precursor to the\u0000symmetry-lowering lattice distortion at $T_N$. Furthermore, it is revealed that\u0000the magnitude of the unusual elastic softness is larger in CoTi$_2$O$_5$ than\u0000in FeTi$_2$O$_5$, which indicates that the spin-lattice coupling is stronger in\u0000CoTi$_2$O$_5$ than in FeTi$_2$O$_5$. The present study suggests that\u0000CoTi$_2$O$_5$ and FeTi$_2$O$_5$ are unique spin Jahn--Teller systems with low\u0000crystal symmetry, where, although the nature of exchange interactions is\u0000quasi-one-dimensional, the three-dimensional spin-lattice coupling releases the\u0000frustration by further lowering the crystal symmetry.","PeriodicalId":501234,"journal":{"name":"arXiv - PHYS - Materials Science","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141948612","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}