arXiv subjects

Imants Dirba

Publications and source records attributed to Imants Dirba.

6 recordsLinked to original sources

arXiv2025

Optimizing $\alpha''$-Fe$_{16}$N$_2$ as permanent magnet via alloying

Based on systematic first-principles calculations, we investigate the effects of 27 alloying elements on the intrinsic magnetic properties of Fe$_{16}$N$_2$, in order to further optimize its properties for permanent magnet applications. Analysis on the thermodynamic stabilities based on formation energy and distance to the convex hull reveals that 20 elements can be substituted into Fe$_{16}$N$_2$, where there is no strong site-preference upon doping. It is observed that all alloying elements can essentially reduce the saturation magnetization, whereas the magnetic anisotropy can be significantly modified. In terms of the Boltzmann-average intrinsic properties, we identify 8 elements as interesting candidates, with Co, Mo, and W as the most promising cases for further experimental validations.

cond-mat.mtrl-sci↗

arXiv2023

The role of Debye temperature in achieving large adiabatic temperature changes at cryogenic temperatures: a case study on $Pr_2In$

The excellent magnetic entropy change ($\Delta S_T$) in the temperature range of 20 $\sim$ 77 K due to the first-order phase transition makes $Pr_2In$ an intriguing candidate for magnetocaloric hydrogen liquefaction. As an equally important magnetocaloric parameter, the adiabatic temperature change ($\Delta T_{ad}$) of $Pr_2In$ associated with the first-order phase transition has not yet been reported. In this work, the $\Delta T_{ad}$ of $Pr_2In$ is obtained from heat capacity measurements: 2 K in fields of 2 T and 4.3 K in fields of 5 T. While demonstrating a $\Delta T_{ad}$ that is not as impressive as its remarkable $\Delta S_T$, $Pr_2In$ exhibits an unusual low Debye temperature ($T_D$) of around 110 K. Based on these two observations, an approach that combines the mean-field and Debye models is developed to study the correlation between $\Delta T_{ad}$ and $T_D$. The role of $T_D$ in achieving large $\Delta T_{ad}$ is revealed: materials with higher $T_D$ tend to exhibit larger $\Delta T_{ad}$, particularly in the cryogenic temperature range. This discovery explains the absence of an outstanding $\Delta T_{ad}$ in $Pr_2In$ and can serve as a tool for designing or searching materials with both a large $\Delta S_T$ and a $\Delta T_{ad}$.

cond-mat.mtrl-sci↗

arXiv2023

Microstructure of a spark-plasma-sintered Fe2VAl-type Heusler alloy for thermoelectric application

The influence of microstructure on thermoelectricity is increasingly recognized. Approaches for microstructural engineering can hence be exploited to enhance thermoelectric performance, particularly through manipulating crystalline defects, their structure, and composition. Here, we focus on a full-Heusler Fe2VAl-based compound that is one of the most promising thermoelectric materials containing only Earth-abundant, non-toxic elements. A Fe2VTa0.05Al0.95 cast alloy was atomized under a nitrogen-rich atmosphere to induce nitride precipitation. Nanometer- to micrometer-scale microstructural investigations by advanced scanning electron microscopy and atom probe tomography (APT) are performed on the powder first and then on the material consolidated by spark-plasma sintering for an increasing time. APT reveals an unexpected pick-up of additional impurities from atomization, namely W and Mo. The microstructure is then correlated with local and global measurements of the thermoelectric properties. At grain boundaries, segregation and precipitation locally reduce the electrical resistivity, as evidenced by in-situ four-point probe measurements. The final microstructure contains a hierarchy of structural defects, including individual point defects, dislocations, grain boundaries, and precipitates, that allow for a strong decrease in thermal conductivity. In combination, these effects provide an appreciable increase in thermoelectric performance.

cond-mat.mtrl-sci↗

arXiv2023

Magneto-active composites with locally tailored stiffness produced by laser powder bed fusion

Additive manufacturing technologies enable the production of complex and bioinspired shapes using magneto-responsive materials, which find diverse applications in soft robotics. Particularly, the development of composites with controlled gradients in mechanical properties offers new prospects for advancements in magneto-active materials. However, achieving such composites with gradients typically involves complex multi-material printing procedures. In this study, a single-step laser powder bed fusion (LPBF) process is proposed that enables precise local adjustments of the mechanical stiffness within magneto-active composites. By utilizing distinct laser parameters in specific regions of a composite containing thermoplastic polyurethane and atomized magnetic powder derived from hard magnetic Nd-Fe-B, the stiffness of the composite can be modified within the range of 2 to 22 MPa. Various magneto-responsive actuators with locally tailored stiffness are fabricated and their magnetic performance is investigated. The enhanced response exhibited by actuators with locally adjusted mechanical properties in comparison to their homogeneous counterparts with identical geometries is shown. As a demonstration of a biomedical application, a magnetically responsive stent with localized adjustment is presented with the ability to meet specific requirements in terms of geometry and local stiffness based on an individual's anatomy and disease condition. The proposed method presents an approach for creating functionally graded materials using LPBF, not only for magneto-active materials but also for several other structural and functional materials.

physics.app-ph↗

arXiv2023

The Premartensite and Martensite in Fe50Rh50 System

Metallic/intermetalic materials with BCC structures hold an intrinsic instability due to phonon softening along [110] dirrection, causing BCC to lower-symmetry phases transformation when the BCC structures are thermally or mechanically stressed. Fe50Rh50 binary system is one of the exceptional BCC structures (ordered-B2) that has not been yet showing such transformation upon application of thermal stress, although mechanical deformation results in B2 to disordered FCC (gamma) and L10 phases transformation. Here, a comprehensive transmission electron microscopy (TEM) study is conducted on thermally-stressed samples of Fe50Rh50 aged at water and liquid nitrogen from 1150 degree C and 1250 degree C. The results show that, samples quenched from 1150 degree C into water and liquid nitrogen show presence of 1/4{110} and 1/2{110} satellite reflections, the latter of which is expected from phonon dispersion curves obtained by density functional theory calculation. Therefore, it is believed that Fe50Rh50 maintains the B2 structure that is in premartensite state. Once Fe50Rh50 is quenched from 1250 degree C into liquid nitrogen, formation of two short-range ordered tetragonal phases with various c/a ratios (~1.15 and 1.4) is observed in line with phases formed from mechanically deformed (30%) sample. According to our observations, an accurate atomistic shear model ({110}<1-10>) is presented that describes the martensitic transformation of B2 to these tetragonal phases. These findings offer implications useful for understanding of magnetic and physical characteristics of metallic/intermetallic materials.

cond-mat.mtrl-sci↗

arXiv2021

Intrinsically weak magnetic anisotropy of cerium in potential hard-magnetic intermetallics

Cerium-based intermetallics are currently attracting much interest as a possible alternative to existing high-performance magnets containing scarce heavy rare-earth elements. However, the intrinsic magnetic properties of Ce in these systems are poorly understood due to the difficulty of a quantitative description of the Kondo effect, a many-body phenomenon where conduction electrons screen out the Ce-4f moment. Here, we show that the Ce-4f shell in Ce-Fe intermetallics is partially Kondo screened. The Kondo scale is dramatically enhanced by nitrogen interstitials completely suppressing the Ce-4f contribution to the magnetic anisotropy, in striking contrast to the effect of nitrogenation in isostructural intermetallics containing other rare-earth elements. We determine the full temperature dependence of the Ce-4f single-ion anisotropy and show that even unscreened Ce-4f moments contribute little to the room-temperature intrinsic magnetic hardness. Our study thus establishes fundamental constraints on the potential of cerium-based permanent magnet intermetallics.

cond-mat.str-el↗