Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “CHAINS”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Disordered Weyl semimetal as an array of coupled Hubbard chains

We demonstrate that a disordered magnetic Weyl semimetal may be mapped onto a two-dimensional array of coupled replicated Hubbard chains, where the Hubbard 𝑈 is directly related to the variance of the disorder potential. This is a three-dimensional generalization of a similar mapping of the two-dimensional quantum Hall plateau transition to a one-dimensional Hubbard chain. Here, we demonstrate that this mapping leads to the conclusion that the Weyl semimetal becomes a diffusive metal with a nonzero density of states at arbitrarily weak disorder, in agreement with recent work. We also discuss the absence of localization in strongly disordered Weyl semimetals from the viewpoint of this mapping.

Mott insulators↗
DOE OSTI2016

Energy level alignment of self-assembled linear chains of benzenediamine on Au(111) from first principles

Using density functional theory (DFT) with van der Waals functionals, we calculate the adsorption energetics and geometry of benzenediamine (BDA) molecules on Au(111) surfaces. Our results demonstrate that the reported self-assembled linear chain structure of BDA, stabilized via hydrogen bonds between amine groups, is energetically favored over previously-studied monomeric phases. Moreover, using a model based on many-body perturbation theory within the GW approximation, we obtain approximate self-energy corrections to the DFT highest occupied molecular orbital (HOMO) energy associated with BDA adsorbate phases. As a result, we find that, independent of coverage, the HOMO energy of the linear chain phase is lower relative to the Fermi energy than that of the monomer phase, and in good agreement with values measured with ultraviolet photoelectron spectroscopy and X-ray photoelectron spectroscopy.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

Unusual magnetic excitations in the weakly ordered spin- 1 2 chain antiferromagnet Sr 2 CuO 3 : Possible evidence for Goldstone magnon coupled with the amplitude mode

We report on an electron spin resonance (ESR) study of a nearly one-dimensional (1D) spin-1/2 chain antiferromagnet, Sr 2 CuO 3 , with extremely weak magnetic ordering. The ESR spectra at T > T N , in the disordered Luttinger-spin-liquid phase, reveal nearly ideal Heisenberg-chain behavior with only a very small, field-independent linewidth, ~1/T. In the ordered state, below T N , we identify field-dependent antiferromagnetic resonance modes, which are well described by pseudo-Goldstone magnons in the model of a collinear biaxial antiferromagnet. Additionally, we observe a major resonant mode with unusual and strongly anisotropic properties, which is not anticipated by the conventional theory of Goldstone spin waves. Lastly, we propose that this unexpected magnetic excitation can be attributed to a field-independent magnon mode renormalized due to its interaction with the high-energy amplitude (Higgs) mode in the regime of weak spontaneous symmetry breaking.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Spin pseudogap in the S = 1 2 chain material Sr 2 CuO 3 with impurities

Here, the low-energy magnetic excitation spectrum of the Heisenberg antiferromagnetic S = 1/2 chain system Sr 2 CuO 3 with Ni and Ca impurities is studied by neutron spectroscopy. In all cases, a defect-induced spectral pseudogap is observed and shown to scale proportionately to the number of scattering centers in the spin chains.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

One-dimensionality in atomic nuclei: A candidate for linear-chain α clustering in C 14

During the clustering of particles in atomic nuclei, the self-organization of various geometrical arrangements at the femtometer scale are produced as a result. Furthermore, the one-dimensional alignment of multiple a particles is known as linear-chain structure, evidence of which has been highly elusive. Here, we show via resonant elastic and inelastic a scattering of a radioactive Be-10 beam that excited states in the neutron-rich nucleus C-14 agree with recent predictions of linear-chain structure based on an antisymmetrized molecular dynamics model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Minkowski vacuum entanglement and accelerated oscillator chains

Minkowski vacuum is empty from the perspective of Unruh-Minkowski photons, however, in the Rindler picture, it is filled with entangled pairs of Rindler photons. A ground-state atom uniformly accelerated through Minkowski vacuum can become excited by absorbing a Rindler photon (Unruh effect) or, in the alternative description, by emitting an Unruh-Minkowski photon (Unruh-Wald effect). We find an exact solution for the quantum evolution of a long chain of harmonic oscillators accelerated through Minkowski vacuum and for two chains accelerated in the opposite directions. We show how entanglement of Rindler photons present in Minkowski vacuum is transferred to the oscillators moving in causally disconnected regions. We also show that in the Unruh-Minkowski photon picture the process can be interpreted as if initial correlations between collective oscillator modes are transferred to the generated Unruh-Minkowski photons. Published by the American Physical Society 2025

Svidzinsky, Anatoly A. (ORCID:0000000247756767)↗
DOE OSTI2020

Spectral form factors of clean and random quantum Ising chains

We compute the spectral form factor of two integrable quantum-critical many-body systems in one spatial dimension. The spectral form factor of the quantum Ising chain is periodic in time in the scaling limit described by a conformal field theory; we also compute corrections from lattice effects and deviation from criticality. Iin this work, criticality in the random Ising chain is described by rare regions associated with a strong randomness fixed point, and these control the long-time limit of the spectral form factor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Dynamic phases, clustering, and chain formation for driven disk systems in the presence of quenched disorder

In this paper, we numerically examine the dynamic phases and pattern formation of two-dimensional monodisperse repulsive disks driven over random quenched disorder. We show that there is a series of distinct dynamic regimes as a function of increasing drive, including a clogged or pile-up phase near depinning, a homogeneous disordered flow state, and a dynamically phase separated regime consisting of high-density crystalline regions surrounded by a low density of disordered disks. At the highest drives the disks arrange into one-dimensional moving chains. The phase separated regime has parallels with the phase separation observed in active matter systems, but arises from a distinct mechanism consisting of the combination of nonequilibrium fluctuations with density-dependent mobility. We discuss the pronounced differences between this system and previous studies of driven particles with longer-range repulsive interactions moving over random substrates, such as superconducting vortices or electron crystals, where dynamical phase separation and distinct one-dimensional moving chains are not observed. Finally, our results should be generic to a broad class of systems in which the particle-particle interactions are short ranged, such as sterically interacting colloids or Yukawa particles with strong screening driven over random pinning arrays, superconducting vortices in the limit of small penetration depths, or quasi-two-dimensional granular matter flowing over rough landscapes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Magnetic alignment of block copolymer microdomains by intrinsic chain anisotropy

We examine the role of intrinsic chain susceptibility anisotropy in magnetic field directed self-assembly of a block copolymer using in situ x-ray scattering. Alignment of a lamellar mesophase is observed on cooling across the disorder-order transition with the resulting orientational order inversely proportional to the cooling rate. We discuss the origin of the susceptibility anisotropy, Δ χ , that drives alignment and calculate its magnitude using coarse-grained molecular dynamics to sample conformations of surface-tethered chains, finding Δ χ ≈ 2×10 –8 . From field-dependent scattering data, we estimate that grains of ≈ 1.2 μm are present during alignment. Furthermore, these results demonstrate that intrinsic anisotropy is sufficient to support strong field-induced mesophase alignment and suggest a versatile strategy for field control of orientational order in block copolymers.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Heat Transport in Spin Chains with Weak Spin-Phonon Coupling

The heat transport in a system of S=1/2 large-J Heisenberg spin chains, describing closely Sr 2 CuO 3 and SrCuO 2 cuprates, is studied theoretically at T $\ll$ J by considering interactions of the bosonized spin excitations with optical phonons and defects. Treating rigorously the multi-boson processes, we derive a microscopic spin-phonon scattering rate that adheres to an intuitive picture of phonons acting as thermally populated defects for the fast spin excitations. Here, the mean-free path of the latter exhibits a distinctive T-dependence reflecting a critical nature of spin chains and gives a close description of experiments. By the naturalness criterion of realistically small spin-phonon interaction, our approach stands out from previous considerations that require large coupling constants to explain the data and thus imply a spin-Peierls transition, absent in real materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Unconventional field-induced spin gap in an S = 1/2 chiral staggered chain

We investigate the low-temperature magnetic properties of the molecule-based chiral spin chain [Cu(pym)(H 2 O) 4 ]SiF 6 ·H 2 O (pym = pyrimidine). Electron-spin resonance, magnetometry and heat capacity measurements reveal the presence of staggered g tensors, a rich low-temperature excitation spectrum, a staggered susceptibility and a spin gap that opens on the application of a magnetic field. These phenomena are reminiscent of those previously observed in non-chiral staggered chains, which are explicable within the sine-Gordon quantum-field theory. In the present case, however, the size of the gap and its measured linear field dependence do not fit with the sine-Gordon model as it stands. We propose that the differences arise due to additional terms in the Hamiltonian resulting from the chiral structure of [Cu(pym)(H 2 O)4]SiF 6 ·H 2 O, particularly a uniform Dzyaloshinskii-Moriya coupling and a four-fold periodic staggered field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Incommensurate magnetism in K 2 MnS 2 – x Se x and prospects for tunable frustration in a triangular lattice of pseudo-1D spin chains

We report a detailed investigation of K 2 MnS 2 and K 2 MnSe 2 from the K 2 MnS 2 structure type and their magnetic solid solution K 2 MnS 2–x Se x and find that compounds of this structure type consist of strongly coupled pseudo-one-dimensional antiferromagnetic chains that collectively represent a frustrated two-dimensional triangular antiferromagnet. Bulk samples of K 2 MnS 2–x Se x with 0 ≤ x ≤ 2 are characterized using x-ray diffraction, neutron diffraction, magnetization, and heat-capacity measurements. An incommensurate cycloid magnetic structure with a magnetic propagation vector k = [0.5801] is observed for all samples in K 2 MnS 2–x Se x , and the ordering is robust despite a 12% increase in cell volume. Geometric frustration of chains results in incommensurability along a and a two-step magnetic transition. Here, the varying geometries accessible in compounds of this structure type are presented as promising avenues to tune frustration.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Quasi-one-dimensional Pb 5 Re 3 O 15 : A 5 d realization of the Heisenberg antiferromagnetic spin-1/2 chain

Quasi-one-dimensional (1D) magnetic compounds connect the exact solutions of low-dimensional magnetic geometries, which promise quantum spin liquid behavior and exotic quasiparticles, with real-world materials, in which competing magnetic interactions affect their implementation in quantum information science. Here, the structural determination and quasi-1D magnetic behavior of a previously unreported compound, Pb 5 ⁢Re 3 ⁡O 15 , is presented. Like the anisotropic triangular A 3 ⁢ReO 5 ⁢Cl 2 (A = Ba, Sr, Ca) materials, Pb 5 ⁢Re 3 ⁡O 15 contains [ReO 5 ] square pyramids inserted into anion-centered quasi-two-dimensional layers and hosts spin-1/2 moments on the Re 6+ ions. Pb 5 ⁢Re 3 ⁡O 15 , however, has a more ideal quasi-1D geometry than the A 3 ⁢ReO 5 ⁢Cl 2 materials, with larger interchain distances and interlayer spacing. Quasi-1D magnetic behavior in Pb 5 ⁢Re 3 ⁡O 15 is confirmed by fitting the temperature-dependent magnetic susceptibility with the Bonner-Fisher model for a spin-1/2 antiferromagnetically coupled chain, yielding an intrachain coupling constant of |J|/k B =54.5K. Pb 5 ⁢Re 3 ⁡O 15 is highly insulating at room temperature, and heat capacity data below 10 K reveal a linear-T contribution that suggests the presence of low-temperature spinon excitations. Finally, with a lack of three-dimensional ordering down to at least 0.6 K, Pb 5 ⁢Re 3 ⁡O 15 is proposed as a model system for studying the quantum magnetism of quasi-1D Heisenberg chains in a real-world 5d 1 antiferromagnetic material.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Towards Automated Reasoning Chains for Verification of LLM-Generated Scientific Code

With the rise of Large Language Model (LLM) generated code, including in domains like scientific computing, ensuring not only syntactical, but also mathematical correctness, has become a critical task. Traditional formal methods approaches often struggle with the ambiguity of floating-point code, and full symbolic execution is extremely costly and limited. We propose a chain-of-reasoning approach that iteratively lifts basic semantics from code into the SPIRAL system and then establishes numerical equivalency to the desired mathematical operation. Here, we leverage the ample mathematical knowledge already formalized in SPIRAL to enable the system to recognize not just different implementations of the same algorithm but fully separate approaches to solving the given problem. The chain establishes tight error bounds on the output of given code with respect to the true continuous solution it approximates, quantifying all sources of error. We demonstrate this approach by establishing the correctness of a pseudospectral solver for a simple 1-dimensional Poisson problem.

Oschatz, Quentin [Carnegie Mellon University,Pitts↗
DOE OSTI2022

A Cryptographic Method for Defense Against MiTM Cyber Attack in the Electricity Grid Supply Chain

Critical infrastructures such as the electricity grid can be severely impacted by cyber-attacks on its supply chain. Hence, having a robust cybersecurity infrastructure and management system for the electricity grid is a high priority. This paper proposes a cyber-security protocol for defense against man-in-the-middle (MiTM) attacks to the supply chain, which uses encryption and cryptographic multi-party authentication. A cyber-physical simulator is utilized to simulate the power system, control system, and security layers. The correctness of the attack modeling and the cryptographic security protocol against this MiTM attack is demonstrated in four different attack scenarios.

Paul, Shuva↗
DOE OSTI2021

A Theoretical Approach for Reliability Within Information Supply Chains With Cycles and Negations

Complex networks of information processing systems, or information supply chains, present challenges for performance analysis. Here, we establish a mathematical setting, in which a process within an information supply chain can be analyzed in terms of the functionality of the system’s components. Principles of this methodology are rigorously defended and induce a model for determining the reliability for the various products in these networks. Our model does not limit us from having cycles in the network, as long as the cycles do not contain negation. It is shown that our approach to reliability resolves the nonuniqueness caused by cycles in a probabilistic Boolean network. An iterative algorithm is given to find the reliability values of the model, using a process that can be fully automated. This automated method of discerning reliability is beneficial for systems managers. As a systems manager considers systems modification, such as the replacement of owned and maintained hardware systems with cloud computing resources, the need for comparative analysis of system reliability is paramount. The model is extended to handle conditional knowledge about the network, allowing one to make predictions of weaknesses in the system. Finally, to illustrate the model’s flexibility over different forms, it is demonstrated on a system of components and subcomponents.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Evaluation of revised polymerase chain reaction primers for more inclusive quantification of ammonia‐oxidizing archaea and bacteria

Summary Ammonia‐oxidizing archaea ( AOA ) and bacteria ( AOB ) fill key roles in the nitrogen cycle. Thus, well‐vetted methods for characterizing their distribution are essential for framing studies of their significance in natural and managed systems. Quantification of the gene coding for one subunit of the ammonia monooxygenase ( amoA ) by polymerase chain reaction is frequently employed to enumerate the two groups. However, variable amplification of sequence variants comprising this conserved genetic marker for ammonia oxidizers potentially compromises within‐ and between‐system comparisons. We compared the performance of newly designed non‐degenerate quantitative polymerase chain reaction primer sets to existing primer sets commonly used to quantify the amoA of AOA and AOB using a collection of plasmids and soil DNA samples. The new AOA primer set provided improved quantification of model mixtures of different amoA sequence variants and increased detection of amoA in DNA recovered from soils. Although both primer sets for the AOB provided similar results for many comparisons, the new primers demonstrated increased detection in environmental application. Thus, the new primer sets should provide a useful complement to primers now commonly used to characterize the environmental distribution of AOA and AOB .

Meinhardt, Kelley A.↗
DOE OSTI2022

Design and synthesis of diazirine‐containing dyes for polypropylene fibre: A study on the effect of alkyl chain

Abstract The dyeing of polypropylene fabrics utilising conventional‐disperse dyes often meets poor colour yield and fastness problems, fundamentally caused by the low affinity between dyes and polypropylene fibres. In this article, a new class of hydrophobic reactive dyes that can react with polypropylene were designed using diazirine moiety as a reactive group, azo structure as a chromophore, and an ester group as a linking bridge. The difference among these dyes was the alkyl chain length on the azo chromophore, which was used to fine‐tune the affinity between the dyes and fibre. The structures of the synthesised dyes and intermediates were characterised and confirmed using nuclear magnetic resonance, mass spectrometry, and infrared spectrometry. The absorption and thermal properties of the dyes were also studied to ensure their feasibility for dyeing application. In addition, the diazirine dyes were successfully applied to dye polypropylene fabrics using a two‐step process by dyeing in a non‐aqueous solvent and fixing it under heating. The dyes and polypropylene fibre were demonstrated to react, where the fixation values were in the range 64.5–76.4%. The systematic study of the structure–property relationship demonstrated the positive effect of the alkyl chain in promoting colour yield, however, accompanied by a slightly reduced fixation value. Due to the chemical bonding of the dye molecules to the fibre, the dyed polypropylene fabrics exhibited excellent colour fastness property, making the dyeing technology very promising for future industrial applications.

Guo, Guangluo↗