Equation of state and elastic properties of face-centered-cubic FeMg alloy at ultrahigh pressures from first-principles

We have calculated the equation of state and elastic properties of face-centered cubic Fe and Fe-rich FeMg alloy at ultrahigh pressures from first principles using the Exact Muffin-Tin Orbitals method. The results show that adding Mg into Fe influences strongly the equation of state, and cause a large degree of softening of the elastic constants, even at concentrations as small as 1-2 at. %. Moreover, the elastic anisotropy increases, and the effect is higher at higher pressures.Comment: 6 figure

Making Good Lawyers

Today, the criticism of law schools has become an industry. Detractors argue that legal education fails to effectively prepare students for the practice of law, that it is too theoretical and detached from the profession, that it dehumanizes and alienates students, too expensive and inapt in helping students develop a sense of professional identity, professional values, and professionalism. In this sea of criticisms it is hard to see the forest from the trees. “There is so much wrong with legal education today,” writes one commentator, “that it is hard to know where to begin.” This article argues that any reform agenda will fall short if it does not start by recognizing the dominant influence of the culture of autonomous self-interest in legal education. Law schools engage in a project of professional formation and instill a very particular brand of professional identity. They educate students to become autonomously self-interested lawyers who see their clients and themselves as pursuing self-interest as atomistic actors. As a result, they understand that their primary role is to serve as neutral partisans who promote the narrow self-interest of clients without regard to the interests of their families, neighbors, colleagues, or communities and to the exclusion of counseling clients on the implications of those interests. They view as marginal their roles as an officer of the legal system and as a public citizen and accordingly place a low priority on traditional professional values, such as the commitment to the public good, that conflict with their primary allegiance to autonomous self-interest. In this work of professional formation, law schools are reflecting the values and commitments of the autonomously self-interested culture that is dominant in the legal profession. Therefore, even if law schools sought to form a professional identity outside of the mold of autonomous self-interest, such a commitment would require much more than curricular reform. It would, at minimum, require the construction of a persuasive alternative understanding of the lawyer’s role. The article seeks to offer such an understanding grounded in a relational perspective on lawyers and clients. Part I offers workable definitions of professionalism and professional identity that enable an informed discussion of the formation of professional identity in and by law schools. Part II explores what and how legal education teaches students showing that both institutionally (at the law school level) and individually (at the law professor level) legal education is proactively engaged in the formation of a professional identity of autonomous self-interest. Part II further explains that its dominance in legal education notwithstanding, autonomous self-interest is but one, often unpersuasive, account of professionalism and professional identity. Part III turns to the competing vision of relationally self-interested professionalism and professional identity and develops an outline for legal education grounded in these conceptions. Because legal education reflects a deep commitment to the dominant culture of autonomous self-interest, it is unlikely that reform proposals that are inconsistent with that culture are likely to succeed in the near future. Yet proposing an alternative account of professional identity that exposes the assumptions of the dominant culture, explains their limitations, and develops a more persuasive understanding is a necessary step toward providing a workable framework for reformers committed to promoting professional values in the long term

First-principles thermal equation of state and thermoelasticity of hcp Fe at high pressures

We investigate the equation of state and elastic properties of hcp iron at high pressures and high temperatures using first principles linear response linear-muffin-tin-orbital method in the generalized-gradient approximation. We calculate the Helmholtz free energy as a function of volume, temperature, and volume-conserving strains, including the electronic excitation contributions from band structures and lattice vibrational contributions from quasi-harmonic lattice dynamics. We perform detailed investigations on the behavior of elastic moduli and equation of state properties as functions of temperature and pressure, including the pressure-volume equation of state, bulk modulus, the thermal expansion coefficient, the Gruneisen ratio, and the shock Hugoniot. Detailed comparison has been made with available experimental measurements and theoretical predictions.Comment: 33 pages, 12 figure

Synchrotron X-ray Diffraction Study of BaFe2As2 and CaFe2As2 at High Pressures up to 56 GPa: Ambient and Low-Temperatures Down to 33 K

We report high pressure powder synchrotron x-ray diffraction studies on MFe2As2 (M=Ba, Ca) over a range of temperatures and pressures up to about 56 GPa using a membrane diamond anvil cell. A phase transition to a collapsed tetragonal phase is observed in both compounds upon compression. However, at 300 (33) K in the Ba-compound the transition occurs at 26 (29) GPa, which is a much higher pressure than 1.7 (0.3) GPa at 300 (40) K in the Ca-compound, due to its larger volume. It is important to note that the transition in both compounds occurs when they are compressed to almost the same value of the unit cell volume and attain similar ct/at ratios. We also show that the FeAs4 tetrahedra are much less compressible and more distorted in the collapsed tetragonal phase than their nearly regular shape in the ambient pressure phase. We present a detailed analysis of the pressure dependence of the structures as well as equation of states in these important BaFe2As2 and CaFe2As2 compounds.Comment: 26 pages, 12 figure

Magnetic properties of polymerized C60_{60} with Fe

We provide evidence that high-pressure high-temperature (2.5 GPa and 1040 K) treatment of mixtures of iron with fullerene powders leads to the complete transformation of iron into iron carbide Fe$_3$C. The comparison of the magnetic properties (Curie temperature and magnetic moment) of the here studied samples and those for the ferromagnetic polymer Rh-C$_{60}$ indicates that the main ferromagnetic signal reported in those samples is due to Fe$_3$C and not related to the ferromagnetism of carbon as originally interpreted. Taking into account the results obtained in this study the original paper on ``Magnetic carbon" (Nature {\bf 413}, 716 (2001)) was recently retracted.Comment: 5 Figures, 4 page

Electronic properties and magnetism of iron at the Earth's inner core conditions

We employ state-of-the-art ab initio simulations within the dynamical mean-field theory to study three likely phases of iron (hexogonal close-packed, hcp, face centered cubic, fcc, and body centered cubic, bcc) at the Earth's core conditions. We demonstrate that the correction to the electronic free energy due to correlations can be significant for the relative stability of the phases. The strongest effect is observed in bcc Fe, which shows a non-Fermi liquid behaviour, and where a Curie-Weiss behaviour of the uniform susceptbility hints at a local magnetic moment still existing at 5800 K and 300 GPa. We predict that all three structures have sufficiently high magnetic susceptibility to stabilize the geodynamo.Comment: 7 pages, 6 figures. Changes in version 2: the magnetic susceptibility has been recalculated for a larger temperature range and with a higher accuracy (Fig. 4), comparison with the enhanced Stoner model added, some other minor correction to the tex