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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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137 records · Page 8

El Paso County Geothermal Project at Fort Bliss. Final Project Report

The El Paso County Geothermal Project at Fort Bliss was an effort to determine the scale and scope of geothermal resources previously identified on Fort Bliss’ McGregor Range in southern Otero County, New Mexico. The project was funded with a $5,000,000 grant to El Paso County from the U.S. Department of Energy (DOE) as part of the American Recovery and Reinvestment Act of 2009 and a $4,812,500 match provided by private sector partners. The project was administered through the DOE Golden Field Office to awardee El Paso County. The primary subcontractor to El Paso County and project Principal Investigator - Ruby Mountain Inc. (RMI) of Salt Lake City, Utah - assembled the project team consisting of Evergreen Clean Energy Management (ECEM) of Provo, Utah, and the Energy & Geoscience Institute at the University of Utah (EGI) in Salt Lake City, UT to complete the final phases of the project. The project formally began in May of 2010 and consisted of two preliminary phases of data collection and evaluation which culminated in the identification of a drilling site for a Resource Confirmation Well on McGregor Range. Well RMI 56-5 was drilled May and June 2013 to a depth of 3,030 ft. below ground level. A string of slotted 7 inch casing was set in 8.75 inch hole on bottom fill at 3,017 ft. to complete the well. The well was drilled using a technique called flooded reverse circulation, which is most common in mineral exploration. This technique produced an exceptionally large and complete cuttings record. An exciting development at the conclusion of drilling was the suspected discovery of a formation that has proven to be of exceptionally high permeability in three desalinization wells six miles to the south. Following drilling and preliminary testing and analysis, the project team has determined that the McGregor Range thermal anomaly is large and can probably support development in the tens of megawatts.

15 GEOTHERMAL ENERGY↗

Impedance Controlled Twisted String Actuators for Tensegrity Robots

We are developing impedance controlled twisted string actuators (TSA) for use in tensegrity robots, as an alternative to traditional spooled cable actuation. Tensegrity robots are composed of continuous tension and discontinuous compression elements, with no rigid joints between elements, which give them unique force distribution properties. The use of tensegrity robots is strongly motivated by biological examples, and they are capable of locomotion and manipulation by changing lengths of their continuous network of tensional elements, which is also the primary pathways for load transfer through the structure. TSA show the potential to address some of the unique engineering challenges faced by tensegrity structures, and provide unique qualities well suited to an actively controlled tension system, such as compact, light-weight mechanical structures, inherent compliance, variable gearing'', and the ability to transmit high forces with a very low input torque. The inherent variable compliance of impedance control is essential for tensegrity robots to move through and manipulate the environment, and is a natural match to the unique qualities of TSA. This paper briefly introduces the tensegrity robots in the NASA Ames Intelligent Robotics Group and an overview of their future application to space planetary exploration. Then the effectiveness and robustness of TSA are verified through the performance of impedance control modes.

Park, In-Won↗

Semiclassics with ’t Hooft flux background for QCD with 2-index quarks

We study quantum chromodynamics including the two-index symmetric or anti-symmetric quark (QCD(Sym/ASym)) on small $\mathbb{R}^2$× T 2 with a suitable magnetic flux. We first discuss the ’t Hooft anomaly of these theories and claim that discrete chiral symmetry should be spontaneously broken completely to satisfy the anomaly matching condition. The T 2 compactification with the magnetic flux preserves the ’t Hooft anomaly, and the 2d effective theory is constrained by the same anomaly of 4d QCD(Sym/ASym). We demonstrate the spontaneous breakdown of chiral symmetry using the dilute gas of center vortices, which confirms the prediction of the ’t Hooft anomaly. We also find that each vacuum maintains the charge conjugation symmetry, and this gives affirmative support for the nonperturbative large-N orientifold equivalence between QCD(Sym/ASym) and $\mathcal{N}$ = 1 supersymmetric SU(N) Yang-Mills theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Universal entropy and hawking radiation of near-extremal AdS4 black holes

We compute the Bekenstein-Hawking entropy of near-extremal asymptotically AdS 4 electrically charged rotating black holes using three different methods: (i) from the gravity solution, (ii) from the near-horizon Kerr/CFT correspondence and (iii) from the boundary conformal field theory. The results from these three different approaches match exactly, giving us a unique and universal expression for the entropy and the microstate counting of near-extremal AdS black holes via the AdS/CFT correspondence. In the second method, we extend the Kerr/CFT correspondence to the near-extremal case to compute the left and right central charges. We also use hidden conformal symmetry of the near-horizon geometry to compute the Frolov-Thorne temperatures. From the results of the near-extremal AdS 4 black hole entropy, we provide a microscopic foundation for Hawking radiation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties

Designing molecules with specific target properties remains a fundamental challenge in computational chemistry. While existing approaches show promise, most rely on simplified representations like SMILES strings or 2D graphs that lack essential three-dimensional geometric information. We present EvoDiffMol, a computational framework that integrates evolutionary algorithms with three-dimensional diffusion models for property-driven molecular generation. The method operates through adaptive evolutionary optimization, where population-based selection guides the generation process toward desired property landscapes. EvoDiffMol supports both unconstrained molecular design and scaffold-constrained generation that preserves fixed substructures while optimizing complementary regions. Comprehensive evaluation demonstrates exceptional performance, achieving the highest drug-likeness score (0.94) among all compared state-of-the-art methods while maintaining excellent validity, uniqueness, and novelty. Beyond single property optimization, the framework demonstrates flexible multi-property optimization capabilities, simultaneously controlling multiple molecular descriptors including synthetic accessibility, lipophilicity, topological polar surface area, and clinically relevant ADMET properties such as cardiotoxicity (hERG) and intestinal permeability (Caco-2). This adaptability spans from simple descriptors to practical pharmaceutical endpoints without requiring complete model retraining. The framework achieves precise control over target property values, generating molecules with properties closely matching specified targets for both single and multiple descriptors. Scaffold-constrained experiments preserve fixed molecular cores while maintaining effective property optimization. The three-dimensional representation offers advantages in maintaining structural validity during iterative optimization, with potential for geometry-aware applications in materials science and drug discovery.

3D molecular generation↗

Global anomalies and effective field theory

Here, we show that matching anomalies under large gauge transformations and large diffeomorphisms can explain the appearance and non-renormalization of couplings in effective field theory. We focus on thermal effective field theory, where we argue that the appearance of certain unusual Chern-Simons couplings is a consequence of global anomalies. As an example, we show that a mixed global anomaly in four dimensions fixes the chiral vortical effect coefficient (up to an overall additive factor). This is an experimentally measurable prediction from a global anomaly. For certain situations, we propose a simpler method for calculating global anomalies which uses correlation functions rather than eta invariants.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Q-balls meet fuzzballs: non-BPS microstate geometries

We construct a three-parameter family of non-extremal microstate geometries, or “microstrata”, that are dual to states and deformations of the D1-D5 CFT. These families are non-extremal analogues of superstrata. We find these microstrata by using a Q-ball-inspired Ansatz that reduces the equations of motion to solving for eleven functions of one variable. We then solve this system both perturbatively and numerically and the results match extremely well. We find that the solutions have normal mode frequencies that depend upon the amplitudes of the excitations. We also show that, at higher order in perturbations, some of the solutions, having started with normalizable modes, develop a “non-normalizable” part, suggesting that the microstrata represent states in a perturbed form of the D1-D5 CFT. This paper is intended as a “Proof of Concept” for the Q-ball-inspired approach, and we will describe how it opens the way to many interesting follow-up calculations both in supergravity and in the dual holographic field theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Light-Front Holographic QCD

The relation between the hadronic short-distance constituent quark and gluon particle limit and the long-range confining domain is yet one of the most challenging aspects of particle physics due to the strong coupling nature of Quantum Chromodynamics, the fundamental theory of the strong interactions. The central question is how one can compute hadronic properties from first principles; i.e., directly from the QCD Lagrangian. The most successful theoretical approach thus far has been to quantize QCD on discrete lattices in Euclidean space-time. Lattice numerical results follow from computation of frame-dependent moments of distributions in Euclidean space and dynamical observables in Minkowski spacetime, such as the time-like hadronic form factors, are not amenable to Euclidean lattice computations. The Dyson-Schwinger methods have led to many important insights, such as the infrared fixed point behavior of the strong coupling constant, but in practice, the analyses are limited to ladder approximation in Landau gauge. Baryon spectroscopy and the excitation dynamics of nucleon resonances encoded in the nucleon transition form factors can provide fundamental insight into the strong-coupling dynamics of QCD. New theoretical tools are thus of primary interest for the interpretation of the results expected at the new mass scale and kinematic regions accessible to the JLab 12 GeV Upgrade Project. The AdS/CFT correspondence between gravity or string theory on a higher-dimensional anti-de Sitter (AdS) space and conformal field theories in physical space-time has led to a semiclassical approximation for strongly-coupled QCD, which provides physical insights into its nonperturbative dynamics. The correspondence is holographic in the sense that it determines a duality between theories in different number of space-time dimensions. This geometric approach leads in fact to a simple analytical and phenomenologically compelling nonperturbative approximation to the full light-front QCD Hamiltonian 'Light-Front Holography'. Light-Front Holography is in fact one of the most remarkable features of the AdS/CFT correspondence. The Hamiltonian equation of motion in the light-front (LF) is frame independent and has a structure similar to eigenmode equations in AdS space. This makes a direct connection of QCD with AdS/CFT methods possible. Remarkably, the AdS equations correspond to the kinetic energy terms of the partons inside a hadron, whereas the interaction terms build confinement and correspond to the truncation of AdS space in an effective dual gravity approximation. One can also study the gauge/gravity duality starting from the bound-state structure of hadrons in QCD quantized in the light-front. The LF Lorentz-invariant Hamiltonian equation for the relativistic bound-state system is P{sub {mu}}P{sup {mu}}|{psi}(P)> = (P{sup +}P{sup -} - P{sub {perpendicular}}{sup 2})|{psi}(P)> = M{sup 2}|{psi}(P)>, P{sup {+-}} = P{sup 0} {+-} P{sup 3}, where the LF time evolution operator P{sup -} is determined canonically from the QCD Lagrangian. To a first semiclassical approximation, where quantum loops and quark masses are not included, this leads to a LF Hamiltonian equation which describes the bound-state dynamics of light hadrons in terms of an invariant impact variable {zeta} which measures the separation of the partons within the hadron at equal light-front time {tau} = x{sup 0} + x{sup 3}. This allows us to identify the holographic variable z in AdS space with an impact variable {zeta}. The resulting Lorentz-invariant Schroedinger equation for general spin incorporates color confinement and is systematically improvable. Light-front holographic methods were originally introduced by matching the electromagnetic current matrix elements in AdS space with the corresponding expression using LF theory in physical space time. It was also shown that one obtains identical holographic mapping using the matrix elements of the energy-momentum tensor by perturbing the AdS metric around its static solution. A gravity dual to QCD is not known, but the mechanisms of confinement can be incorporated in the gauge/gravity correspondence by modifying the AdS geometry in the large infrared (IR) domain z {approx} 1 = {Lambda}{sub QCD}, which also sets the scale of the strong interactions. In this simplified approach we consider the propagation of hadronic modes in a fixed effective gravitational background asymptotic to AdS space, which encodes salient properties of the QCD dual theory, such as the ultraviolet (UV) conformal limit at the AdS boundary, as well as modifications of the background geometry in the large z IR region to describe confinement. The modified theory generates the point-like hard behavior expected from QCD, instead of the soft behavior characteristic of extended objects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Giant Primeval Magnetic Dipoles

Macroscopic magnetic dipoles are considered cosmic dark matter. Permanent magnetism in relativistic field structures can involve some form of superconductivity, one example being current-carrying string loops (“springs”) with vanishing net tension. We derive the cross-section for free classical dipoles to collide, finding it depends weakly on orientation when mutual precession is rapid. The collision rate of “spring” loops with tension T∼10{sup −8}c{sup 4}/G in galactic halos approaches the measured rate of fast radio bursts (FRBs) if the loops compose most of the dark matter. A large superconducting dipole (LSD) with mass ∼10{sup 20} g and size ∼1 mm will form a ∼100 km magnetosphere moving through interstellar plasma. Although hydromagnetic drag is generally weak, it is strong enough to capture some LSDs into long-lived rings orbiting supermassive black holes (SMBHs) that form by the direct collapse of massive gas clouds. Repeated collisions near young SMBHs could dominate the global collision rate, thereby broadening the dipole mass spectrum. Colliding LSDs produce tiny, hot electromagnetic explosions. The accompanying paper shows that these explosions couple effectively to propagating low-frequency electromagnetic modes, with output peaking at 0.01–1 THz. We describe several constraints on, and predictions of, LSDs as cosmic dark matter. The shock formed by an infalling LSD triggers self-sustained thermonuclear burning in a C/O (ONeMg) white dwarf (WD) of mass ≳1 M {sub ⊙} (1.3 M {sub ⊙}). The spark is generally located off the center of the WD. The rate of LSD-induced explosions matches the observed rate of Type Ia supernovae.

79 ASTRONOMY AND ASTROPHYSICS↗

Heavy states in 3d gravity and 2d CFT

We discuss correlators of light fields in heavy states in AdS 3 gravity and holographic 2d CFTs. In the bulk, the propagator of free fields in AdS backgrounds containing a conical defect or a BTZ black hole can be obtained by solving a wave equation, as well as by the method of images. On the boundary, these geometries are sourced by heavy operator insertions, and the propagator is dual to a heavy-light (HHLL) correlator. By matching its expansion in Virasoro blocks to our bulk results, we determine the OPE coefficients of all contributing states in both the s and t channels. In the s channel, these states are excitations of the light field on top of the heavy state, and their OPE coefficients are the amplitudes to create them. The t-channel OPE is dominated by the Virasoro vacuum block, but there is also an infinite family of light two-particle states that contribute to the correlator. The OPE coefficients that couple these states to heavy operators represent their expectation values in heavy backgrounds. We determine them exactly, derive their asymptotic form at large twist, and discuss their behavior near and above the BTZ threshold, where they become thermal one-point functions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

ORNL_AISD_NiNb

This dataset describes the nickel-niobium solid solution binary alloy, where the two constituent elements nickel (Ni) and niobium (Nb) are randomly placed on an underlying crystal lattice. This dataset for nickel-niobium (Ni-Nb) alloys available includes the formation energy and bulk modulus for each crystal structure. Each atomic sample has a disordered phase which is obtained starting from an initial regular crystal structure of type body-centered cubic (BCC), face-centered cubic (FCC), or hexagonal compact packed (HCP). The geometry optimization ensures that all the alloy samples reached the equilibrium with negative formation energy. We perform geometry optimizations using the LAMMPS simulation package [1], a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. We utilized the embedded atom model (EAM) potential for Ni and Nb developed in a previous study [2]. The potential could describe behaviors of the liquid and solid phases of Ni-Nb alloy. The structural factors and angular distributions of three atoms are well-matched with X-ray and ab initio-based molecular dynamics data. We prepared the three different crystals with different initial lattice parameters (3.52 Ã… for FCC, 3.32 Ã… for BCC, and 3.5 Ã… for HCP). We performed energy minimization in two steps. Firstly, we minimized the structures with an isotropic unit cell to minimize the side effects from our arbitrary lattice parameters for all other compositions. Then, we applied geometry optimization with a triclinic (non-orthogonal) unit cell to fully minimize the stress components to calculate the elastic constants. In this procedure, we chose 10,000 as the maximum number of allowable steps aimed at obtaining fully relaxed atomic geometries. The dataset consists of three sets of crystal structures. The first set contains 46,086 irregular crystal structures, each of them with 54 atoms, obtained through optimization starting from a regular BCC crystal structure. The second set contains 24,543 irregular crystal structures, each of them with 32 atoms, obtained through optimization starting from a regular FCC crystal structure. The third set contains 39,303 irregular crystal structures, each of them with 48 atoms, obtained through optimization starting from a regular HCP crystal structure. The atomic configurations within each set span the possible compositional range. The three sets have been unified in a global dataset, which is extremely heterogeneous in terms of crystal structures, lattice volumes, and atomic configurations. Organization of files inside the dataset: the dataset contains three subdirectories called • BCC_opt • FCC_opt • HCP_opt based on the type of initial regular structure used to start the geometry optimization. Inside each of these folders, every atomic structure is identified by a string “A_B_Câ€, where A denotes the number of Nb in the system, B denotes index of structure with a given Nb number, and C denotes the total number of structures generated with a given Nb number. For each optimized crystal structure identified by the unique string of characters “A_B_Câ€, three files are provided: • A_B_C_opt.xyz: The optimized geometries in xyz format • A_B_C_opt.cfg: The optimized geometries in cfg format. It includes cell information and atomic energy, and forces calculated from LAMMPS. • A_B_C.elastic: Raw data of 21 elastic constants from LAMMPS output. • A_B_C.bulk: Calculated upper and lower bounds of bulk modulus and averaged one based on Voigt-Reuss-Hill approach from *.elastic. References: [1] A. P. Thompson, H. M. Aktulga, R. Berger, D. S. Bolintineanu, W. M. Brown, P. S. Crozier, P. J. in 't Veld, A. Kohlmeyer, S. G. Moore, T. D. Nguyen, R. Shan, M. J. Stevens, J. Tranchida, C. Trott, and S. J. Plimpton. LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comp. Phys. Comm., 271:108171, 2022. [2] Y Zhang, R Ashcraft, MI Mendelev, CZ Wang, and KF Kelton. Experimental and molecular dynamics simulation study of structure of liquid and amorphous ni62nb38 alloy. The Journal of chemical physics, 145(20):204505, 2016.

36 MATERIALS SCIENCE↗