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NASA NTRS1992

Prolonged lobar hypoxia in vivo enhances the responsivity of isolated pulmonary veins to hypoxia

The hypoxic response of pulmonary vessels isolated from eight sheep whose right apical lobes (RAL) had inspired 100% N2 for 20 h was studied. The RAL of these conscious sheep inspired hypoxic gas and the remainder of the lung inspired air. During hypoxia, RAL perfusion was 33 +/- 3% of its air value, carotid arterial PO2 averaged 86 +/- 3 mm Hg and pulmonary perfusion pressure was not significantly different from the initial control period when the RAL inspired air. At the end of the hypoxic exposure, the sheep were killed, and pulmonary artery and vein rings (0.5 to 2 mm inner diameter) were isolated from both the RAL and the right cardiac lobe, which served as the control lobe (CL). Arteries from the RAL and CL did not contract in response to 6% O2/6% CO2/88% N2 (hypoxia). In contrast, RAL veins did contract vigorously in response to hypoxia, whereas CL veins did not contract or contracted only minimally. Rubbing of the endothelium or prior incubation of RAL veins with catalase (1,200 units/ml), indomethacin (10(-5) M), or the thromboxane A2/prostaglandin H2 (TxA2/PGH2) receptor antagonist, SQ 29,548 (3 X 10(-6) M) each significantly reduced the response to hypoxia. RAL veins were also found to be more reactive than CL veins to the prostaglandin endoperoxide analogue U46619. We conclude that prolonged lobar hypoxia in vivo increases the responsivity of isolated pulmonary veins to hypoxia. These contractions may result from an increase in reactive O2 species, which in turn modify production of, metabolism of, and/or tissue responsivity to TxA2/PGH2.

NASA Discipline Cardiopulmonary↗

NASA NTRS2004

Advanced Radioisotope Power Conversion Technology Research and Development

NASA's Radioisotope Power Conversion Technology program is developing next generation power conversion technologies that will enable future missions that have requirements that cannot be met by either the ubiquitous photovoltaic systems or by current Radioisotope Power System (RPS) technology. Performance goals of advanced radioisotope power systems include improvement over the state-of-practice General Purpose Heat Source/Radioisotope Thermoelectric Generator by providing significantly higher efficiency to reduce the number of radioisotope fuel modules, and increase specific power (watts/kilogram). Other Advanced RPS goals include safety, long-life, reliability, scalability, multi-mission capability, resistance to radiation, and minimal interference with the scientific payload. NASA has awarded ten contracts in the technology areas of Brayton, Stirling, Thermoelectric, and Thermophotovoltaic power conversion including five development contracts that deal with more mature technologies and five research contracts. The Advanced RPS Systems Assessment Team includes members from NASA GRC, JPL, DOE and Orbital Sciences whose function is to review the technologies being developed under the ten Radioisotope Power Conversion Technology contracts and assess their relevance to NASA's future missions. Presented is an overview of the ten radioisotope power conversion technology contracts and NASA's Advanced RPS Systems Assessment Team.

Wong, Wayne A.↗

NASA NTRS2004

Meeting the Deadline: Why, When and How

A normative system is defined as any set of interacting agents whose behavior can usefully be regarded as norm-directed. Most organizations, and more specifically institutions, fall under this definition. Interactions in these normative systems are regulated by normative templates that describe desired behavior in terms of deontic concepts (obligations, prohibitions and permissions), deadlines, violations and sanctions. Agreements between agents, and between an agent and the society, can then be specified by means of contracts. Contracts provide flexible but verifiable means to integrate society requirements and agent autonomy. and are an adequate means for the explicit specification of interactions. From the society perspective, it is important that these contracts adhere to the specifications described in the model of the organization. If we want to automate such verifications, we have to formalize the languages used for contracts and for the specification of organizations. The logic LCR is based on deontic temporal logic. LCR is an expressive language for describing interaction in multi-agent systems, including obligations with deadlines. Deadlines are important norms in most interactions between agents. Intuitively, a deadline states that an agent should perform an action before a certain point in time. The obligation to perform the action starts at the moment the deadline becomes active. E.g. when a contract is signed or approved. If the action is not performed in time a violation of the deadline occurs. It can be specified independently what measure has to be taken in this case. In this paper we investigate the deadline concept in more detail. The paper is organized as follows. Section 2 defines the variant of CTL we use. In section 3, we discuss the basic intuitions of deadlines. Section 4 presents a first intuitive formalization for deadlines. In section 5, we look at a more complex model for deadlines trying to catch some more practical aspects. Finally, in section 6 we present issues for future work and our conciusions.

Dignum, Frank↗

NASA NTRS2014

NASA Glenn Research Center Support of the ASRG Project

A high efficiency radioisotope power system is being developed for long-duration NASA space science missions. The U.S. Department of Energy (DOE) managed a flight contract with Lockheed Martin Space Systems Company (LMSSC) to build Advanced Stirling Radioisotope Generators (ASRGs), with support from NASA Glenn Research Center (GRC). Sunpower Inc. held two parallel contracts to produce Advanced Stirling Convertors (ASCs), one with DOELockheed Martin to produce ASC-F flight units, and one with GRC for the production of ASC-E3 engineering unit pathfinders that are built to the flight design. In support of those contracts, GRC provided testing, materials expertise, government furnished equipment, inspections, and related data products to DOELockheed Martin and Sunpower. The technical support includes material evaluations, component tests, convertor characterization, and technology transfer. Material evaluations and component tests have been performed on various ASC components in order to assess potential life-limiting mechanisms and provide data for reliability models. Convertor level tests have been used to characterize performance under operating conditions that are representative of various mission conditions. Technology transfers enhanced contractor capabilities for specialized production processes and tests. Despite termination of flight ASRG contract, NASA continues to develop the high efficiency ASC conversion technology under the ASC-E3 contract. This paper describes key government furnished services performed for ASRG and future tests used to provide data for ongoing reliability assessments.

Technology Transfer↗

NASA NTRS2015

TASAR Certification and Operational Approval Requirements - Analyses and Results

This report documents the results of research and development work performed by Rockwell Collins in addressing the Task 1 objectives under NASA Contract NNL12AA11C. Under this contract Rockwell Collins provided analytical support to the NASA Langley Research Center (LaRC) in NASA's development of a Traffic Aware Strategic Aircrew Requests (TASAR) flight deck Electronic Flight Bag (EFB) application for technology transition into operational use. The two primary objectives of this contract were for Rockwell Collins and the University of Iowa OPL to 1) perform an implementation assessment of TASAR toward early certification and operational approval of TASAR as an EFB application (Task 1 of this contract), and 2) design, develop and conduct two Human-in-the-Loop (HITL) simulation experiments that evaluate TASAR and the associated Traffic Aware Planner (TAP) software application to determine the situational awareness and workload impacts of TASAR in the flight deck, while also assessing the level of comprehension, usefulness, and usability of the features of TAP (Task 2 of this contract). This report represents the Task 1 summary report. The Task 2 summary report is provided in [0].

Koczo, Stefan, Jr.↗

DOE OSTI2020

Removing the Cloak of Secrecy from Legacy Cleanup at Los Alamos national Laboratory - 20395

With the establishment in 2018 of the Los Alamos Legacy Cleanup Contract, the Department of Energy's (DOE) Environmental Management Los Alamos Field Office (EM-LA) and its contractor Newport News Nuclear BWXT Los Alamos (N3B) embarked on an expansive program to engage a broad range of local and regional stakeholders in the decision-making process for cleanup of legacy wastes (pre-1999) at the Los Alamos National Laboratory (LANL). From the inception of LANL during the Manhattan Project until the issuance of the new cleanup contract, the site was managed by a single management and operations (M and O) contactor whose main focus was national security. Segmenting from laboratory operations a separate cleanup contract managed by DoE's Office of Environmental Management (EM) brought new opportunities for the cleanup of legacy waste. That change likewise has opened new opportunities for engaging the community on legacy cleanup decisions. The new legacy cleanup contract - an unclassified contract - emphasizes public outreach, marking a cultural shift in how stakeholders in Los Alamos and throughout northern New Mexico are engaged. Without the constraints of classified work, EM-LA and N3B have increased the level of transparency with the public regarding cleanup activities. EM-LA and N3B have crafted an approach that best meets the values, priorities and needs of the neighboring communities by adapting the model successfully employed at Rocky Flats. Through enhanced stakeholder involvement, EM-LA will implement decisions that have considered broad input and deliver a safe and efficient cleanup of the site. EM-LA and N3B began the expanded stakeholder outreach program in January 2019, leading up to four Environmental Management Cleanup Forums held in the summer of 2019. EM-LA and N3B are now in the process of initiating a series of meetings with various stakeholder groups to determine their 'values' as they relate to cleanup using a novel approach that elicits and records values. The entire process is documented, ensuring that should questions arise about how, when and why decisions were made, they can be easily addressed. In addition to other public meetings to present cleanup scenarios and solicit active public involvement in cleanup decisions, the EM-LA and N3B approach involves discussions with stakeholders who want to explore specific technical issues and cleanup discussions in depth. EM-LA and N3B are also evaluating and implementing a variety of communications tools to help ensure the engagement plan sets the gold standard for transparency in legacy cleanup and stakeholder involvement. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Decisions and coordination of retailer-led low-carbon supply chain under altruistic preference

A low-carbon supply chain formed by a dominant retailer and a small and medium-sized manufacturer (SMM) is considered. Because the SMM faces the high cost pressure of adopting carbon emission reduction (CER) technologies, the retailer may take an altruistic preference for the long-term sustainability of the chain. Three decision-making models, centralized, decentralized without altruistic preference, and decentralized with altruistic preference, are constructed to compare decisions and profits of both parties. Since neither decentrailized models can lead to a coordinated solution that is incentive compitable, a coordination contract, referred to as the cost sharing contract with altruistic preference, is proposed. Numerical study shows that the altruistic preference can help increase the SMM's profit and system efficiency but decrease the retailer's profit. The coordination contract requires the retailer to adjust the unit profit and share more than half of the CER cost. Finally, it is found that the wholesale price is the lowest in the coordination contract and the comparison of unit profit depends on the coefficient of CER cost.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2013

Designing new n=2 Sillen–Aurivillius phases by lattice-matched substitutions in the halide and [Bi{sub 2}O{sub 2}]{sup 2+} layers

A new n=2 Sillen–Aurivillius compound Bi{sub 3}Sr{sub 2}Nb{sub 2}O{sub 11}Br has been synthesised based on Bi{sub 3}Pb{sub 2}Nb{sub 2}O{sub 11}Cl by simultaneously replacing Pb{sup 2+} with Sr{sup 2+} and Cl{sup −} with Br{sup −}. Rietveld refinements against X-ray and neutron powder diffraction data revealed a significant relative compression in the stacking axis (c-axis) of the new compound. Sr{sup 2+} doping reduces the impact of the stereochemically active 6s{sup 2} lone pair found on Pb{sup 2+} and Bi{sup 3+}, resulting in a contraction of the c-axis by 1.22% and an expansion of the ab plane by 0.25%. This improves the inter-layer compatibility with the larger halide Br{sup −}. Analysis of X-ray absorption near-edge spectroscopy data show that the ferroelectric distortion of the B-site cation is less apparent in Bi{sub 3}Sr{sub 2}Nb{sub 2}O{sub 11}Br compared to Bi{sub 3}Pb{sub 2}Nb{sub 2}O{sub 11}Cl, and variable-temperature neutron diffraction data show no evidence for a ferroelectric distortion. - Graphical abstract: The structural expansion and contractions in the stacking axis of co-doped Sillen–Aurivillius phases. Display Omitted - Highlights: • A new Sillen–Aurivillius phase Bi{sub 3}Sr{sub 2}Nb{sub 2}O{sub 11}Br is synthesised based on Bi{sub 3}Pb{sub 2}Nb{sub 2}O{sub 11}Cl. • The stacking axis contracts although local expansion accommodates the larger halide Br. • Majority of the contraction is observed in the [Bi{sub 2}O{sub 2}]{sup 2+} layers where we replaced Pb{sup 2+} for Sr{sup 2+}. • Removing the Pb{sup 2+} lowers the lone pair effect and improves inter-layer compatibility. • XANES and NPD suggest that the ferroelectric properties are minimised or suppressed.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Coupled-cluster based basis sets for valence correlation calculations

Novel basis sets are generated that target the description of valence correlation in atoms H through Ar. The new contraction coefficients are obtained according to the Atomic Natural Orbital (ANO) procedure from CCSD(T) (coupled-cluster singles and doubles with perturbative triples correction) density matrices starting from the primitive functions of Dunning et al. [J. Chem. Phys. 90, 1007 (1989); ibid. 98, 1358 (1993); ibid. 100, 2975 (1993)] (correlation consistent polarized valence X-tuple zeta, cc-pVXZ). The exponents of the primitive Gaussian functions are subject to uniform scaling in order to ensure satisfaction of the virial theorem for the corresponding atoms. These new sets, named ANO-VT-XZ (Atomic Natural Orbital Virial Theorem X-tuple Zeta), have the same number of contracted functions as their cc-pVXZ counterparts in each subshell. The performance of these basis sets is assessed by the evaluation of the contraction errors in four distinct computations: correlation energies in atoms, probing the density in different regions of space via 〈r{sup n}〉 (−3 ≤ n ≤ 3) in atoms, correlation energies in diatomic molecules, and the quality of fitting potential energy curves as measured by spectroscopic constants. All energy calculations with ANO-VT-QZ have contraction errors within “chemical accuracy” of 1 kcal/mol, which is not true for cc-pVQZ, suggesting some improvement compared to the correlation consistent series of Dunning and co-workers.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2026

Decomposition of methane diluted with inert gas in an RF discharge cell

Decomposition of methane using non-thermal plasmas is an attractive route for producing hydrogen-rich gases and valuable carbon nanomaterials. Understanding how plasma discharge modes influence methane decomposition in optimizing plasma-assisted chemical conversion remains unexplored. This study explores the coupling between the discharge structure and product selectivity in RF capacitively coupled discharges operating in methane/inert gas mixtures in the pressure range of 2–3 torr. Under our experimental conditions the discharge exhibits mode transitions from uniform to striated in Ar and Kr and from diffuse to contracted in Ar and Kr with <5% CH 4 . The discharges in He and Ne remained uniform under our operating conditions, and their mixtures with CH 4 remained diffuse. A 0-d model for Ar/CH 4 discharge established a threshold for contraction while also asserting the importance of Ar$^{*}_{\textrm{m}}$ in the dissociation and ionization processes. The highest degree of methane decomposition, >99.7% with the main products of acetylene and graphitized solid carbon was achieved in the contracted discharge mode for both Kr or Ar with ⩽5% CH 4 . We demonstrate that contraction can play a crucial role in the effective decomposition of methane with value-added products and that both the electronic and thermal properties of plasma gas are responsible for this effect.

RF plasma↗

NASA NTRS2019

Wrinkle Ridges on Mercury and the Moon Within and Outside of Mascons

Found on all terrestrial planets, wrinkle ridges are anticlines formed by thrust faulting and folding resulting from crustal shortening. The MErcury Surface, Space Environment, Geochemistry, and Ranging (MESSENGER) spacecraft's orbital phase returned high resolution images and topographic data of the previously unimaged northern high latitudes of Mercury where there are large expanses of smooth plains deformed by wrinkle ridges. Concurrently, the Lunar Reconnaissance Orbiter (LRO) is obtaining high resolution images and topographic data covering lunar mare wrinkle ridges. These data allow quantitative comparison of the scale of wrinkle ridges in smooth plains volcanic units on Mercury with mare wrinkle ridges. We evaluate the topographic relief of 300 wrinkle ridges within and outside of mascon basins on the Moon and Mercury. Measured wrinkle ridges range from ~112 to 776 m in relief with a mean of ~350 m (median = ~340 m, n = 150) on Mercury and from ~47 to 678 m in relief with a mean of ~198 m (median = ~168 m, n = 150) on the Moon. Wrinkle ridges on Mercury thus are approximately twice as large in mean relief compared to their counterparts on the Moon. The larger scale of Mercury's wrinkle ridges suggests that their formation can be attributed, in part, to global contraction. As global contraction on the Moon is estimated to be an order of magnitude smaller than on Mercury, the smaller scale of lunar wrinkle ridges suggests they most likely form primarily by load induced subsidence of the mare basalt. Wrinkle ridges located in lunar mascon basins and in the Caloris mascon on Mercury are not statistically significantly different in relief than ridges in non-mascon regions, suggesting comparable levels of contractional strain. The fact that mascon basins do not host wrinkle ridges with greater structural relief relative to non-mascon units may indicate the critical role lithospheric thickness plays in controlling subsidence and contraction of thick volcanic sequences on the Moon and Mercury.

Global contraction↗

NASA NTRSDate not supplied

Trustworthy Autonomy for Gateway Vehicle System Manager

The Vehicle System Manager (VSM) is the highest-level software control system in the Gateway hierarchical Autonomous System Management Architecture. The VSM provides four function categories: Mission Management and Timeline Execution, Resource Management, Fault Management, Vehicle Control and Operation. VSM provides various levels of automation ranging from fully autonomous operations with no flight crew and minimal ground monitoring to advisory automation when Gateway is crewed and has full ground monitoring. Trustworthiness is achieved via verified specification, comprehensive development verification, and real-time verification using assume-guarantee contracts. Development verification includes semantic verification of the data model via peer review and testing and assume-guarantee contracts implemented using the PlusCal/TLA+ environment. VSM also uses runtime assume-guarantee contracts, implemented in R2U2 via a runtime monitor that feeds the necessary telemetry data to R2U2 and which receives and responds to the R2U2 verdict stream. The full lifecycle verification approach and use of assume-guarantee contracts provides increased trustworthiness to VSM. Preliminary results provide encouragement that VSM can be both autonomous and trustworthy.

Assume-guarantee contracts↗

DOE OSTI2020

Tunable Electromechanical Liquid Crystal Elastomer Actuators

Liquid crystal elastomers (LCE) are soft materials which anisotropically shape morph in response to external stimuli. Herein, a method to produce large‐area carbon nanotube–LCE nanocomposite films with exceptional electrostrictive properties is examined. A methodology to produce telechelic precursor oligomeric composites at scale (>100 g) is presented along with the continuous casting and photocuring process. The carbon nanotubes are well‐aligned and well‐dispersed in the films, which exhibit exceptional anisotropic thermomechanical, optical, and thermal shape change characteristics. When an electric field is applied through the film thickness, the material quickly and reversibly contracts along the alignment direction. As an example, a compliant carbon nanotube–LCE film contracts >4% against a 140 kPa load, roughly comparable to the blocking force of many natural muscular tissues. Furthermore, it is demonstrated that this tunable contraction is dependent upon the electric field strength, and that the contraction mimics the form function of the input electric field (e.g., a sine wave). These compliant actuators are excellent candidates for incorporation into soft and/or biological systems.

36 MATERIALS SCIENCE↗

DOE OSTI2024

How hydrophobicity, side chains, and salt affect the dimensions of disordered proteins

Abstract Despite the generally accepted role of the hydrophobic effect as the driving force for folding, many intrinsically disordered proteins (IDPs), including those with hydrophobic content typical of foldable proteins, behave nearly as self‐avoiding random walks (SARWs) under physiological conditions. Here, we tested how temperature and ionic conditions influence the dimensions of the N‐terminal domain of pertactin (PNt), an IDP with an amino acid composition typical of folded proteins. While PNt contracts somewhat with temperature, it nevertheless remains expanded over 10–58°C, with a Flory exponent, ν , >0.50. Both low and high ionic strength also produce contraction in PNt, but this contraction is mitigated by reducing charge segregation. With 46% glycine and low hydrophobicity, the reduced form of snow flea anti‐freeze protein (red‐sfAFP) is unaffected by temperature and ionic strength and persists as a near‐SARW, ν ~ 0.54, arguing that the thermal contraction of PNt is due to stronger interactions between hydrophobic side chains. Additionally, red‐sfAFP is a proxy for the polypeptide backbone, which has been thought to collapse in water. Increasing the glycine segregation in red‐sfAFP had minimal effect on ν . Water remained a good solvent even with 21 consecutive glycine residues ( ν > 0.5), and red‐sfAFP variants lacked stable backbone hydrogen bonds according to hydrogen exchange. Similarly, changing glycine segregation has little impact on ν in other glycine‐rich proteins. These findings underscore the generality that many disordered states can be expanded and unstructured, and that the hydrophobic effect alone is insufficient to drive significant chain collapse for typical protein sequences.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Functional relaxant effect of 6,7-dipropoxy-2H-chromen-2-one is mainly by calcium channel blockade in ex vivo assay of tracheal rings

Asthma is a prevalent disease characterized by airway chronic inflammation, airway hyperresponsiveness, edema and excess of mucus production. Molecules with coumarin scaffold have shown multiple biological effects, including anti-asthmatic. This study describes relaxant effect and mechanism of action of novel semisynthetic 6,7-dipropoxy-2H-chromen-2-one (6,7-DPC) on smooth muscle airways and in silico approaches. 6,7-DPC induced significant relaxant effect on tracheal rings pre-contracted with carbachol (E{sub max} = 100%; EC{sub 50} = 89 µM). Concentration-response curve of 6,7-DPC showed a significant shift to the left with respect to theophylline (positive control). Moreover, pre-treatment with 6,7-DPC inhibited the carbachol-induced contraction in a concentration-dependent manner with suppression of the maximum response. Also, KCl [80 mM]-induced contraction was partially abolished by 6,7-DPC compared with nifedipine; however, CaCl{sub 2} contraction curve only reached 30% of maximal response in the tissues pre-incubated with the test sample. 6,7-DPC was docked on an outer cavity located on the intracellular side of the human L-type calcium channel model and interacts in the following chains and residues: IIIS5.M26, IIIP.T45, IIIP.F49, IIIP.G51, IIIP.P53, IVP.C46, IVP.G49, IVP.E50, IVP.A51, IVP.W52, IVP.Q53, IVP.D54, IVS6.I4, IVS6.F7, IVS6.I8, IVS6.F10, and IVS6.F11. Also, nifedipine made unique interactions with IIIP.E50, IIIP.W52, IIIP.L55. Meanwhile, 6,7-DPC interacted with IIIS5.A22, IIIS2.Q27, and IVS6.C14, exclusively. In conclusion, 6,7-DPC showed a relaxant effect due to combined mechanism of action on rat tracheal rings, through non-competitive muscarinic receptor functional antagonism and preventing the calcium influx. This provides pharmacological basis for the use of 6,7-DPC in airways disorders, such as asthma or chronic obstructive pulmonary disease (COPD).

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

Understanding recent market trends of the US ESCO industry

The US energy services company (ESCO) industry is an example of a private-sector business model that delivers energy savings to customers primarily through the use of performance-based contracts. US ESCO projects garner significant incremental annual savings: approximately 1% of total US commercial building consumption in 2014. From 2000 to 2011, the industry experienced year over year growth; however, based on information drawn from interviews with ESCO executives conducted in late 2015, the authors find that from 2012 to 2014, ESCO industry revenues did not increase. While public and institutional market sectors accounted for 85% of industry revenue in 2014, consistent with previous research findings, the share of revenue from performance contracting increased to 74% in 2014, as compared to 69% share reported for 2011 and 2008. The revenue numbers between 2011 and 2014 are not fully comparable, because a few ESCOs that were subsidiaries of larger companies had undergone reorganization and some categories of revenue reported in 2011 were not included for 2014. Other factors that may have contributed to the recent revenue trend include the following: (1) increased competition from companies not historically defined as an ESCO (e.g. mechanical contractors), (2) uncertainty among some potential customers about committing to long-term performance contracts, and (3) reduction of performance contracting’s perceived benefit of hedging energy price increases and variability due to customer expectations of continued low and less volatile energy prices.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2018

A modified homotopy method for solving the principal-agent bilevel programming problem

In this paper, the principal-agent bilevel programming problem with integral operator is considered, in which the upper-level object is the agent that maximizes its expected utility with respect to an agreed compensation contract. The constraints are the principal’s participation and the agent’s incentive compatibility. The latter is a lower-level optimization problem with respect to its private action. To solve an equivalent single-level nonconvex programming problem with integral operator, a modified homotopy method for solving the Karush–Kuhn–Tucker system is proposed. This method requires only an interior point and, not necessarily, a feasible initial approximation for the constraint shifting set. Global convergence is proven under some mild conditions. Numerical experiments were performed by our homotopy method as well as by fmincon in Matlab, LOQO and MINOS. The experiments showed that: designing a piecewise linear contract is much better than designing a piecewise constant contract and only needs to solve a much lower-dimensional optimization problem and hence needs much less computation time; the optimal value of the principal-agent model with designing piecewise linear contract tends to a limitation, while the discrete segments gradually increase; and finally, the proposed modified homotopy method is feasible and effective.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Landau levels in uniaxially strained graphene: A geometrical approach

The effect of strain on the Landau levels (LLs) spectra in graphene is studied, using an effective Dirac-like Hamiltonian which includes the distortion in the Dirac cones, anisotropy and spatial-dependence of the Fermi velocity induced by the lattice change through a renormalized linear momentum. We propose a geometrical approach to obtain the electron’s wave-function and the LLs in graphene from the Sturm–Liouville theory, using the minimal substitution method. The coefficients of the renormalized linear momentum are fitted to the energy bands, which are obtained from a Density Functional Theory (DFT) calculation. In particular, we evaluate the case of Dirac cones with an ellipsoidal transversal section resulting from uniaxially strained graphene along the Arm-Chair (AC) and Zig-Zag (ZZ) directions. We found that uniaxial strain in graphene induces a contraction of the LLs spectra for both strain directions. Also, is evaluated the contribution of the tilting of Dirac cone axis resulting from the uniaxial deformations to the contraction of the LLs spectra. - Highlights: • The LLs in uniaxially strained graphene are found using a geometrical approach. • The energy of the LLs in function of the Dirac cone deformation is presented. • We found that uniaxial strain in graphene induces a contraction of the LLs spectra. • Contraction in LLs spectra depends on the geometrical parameters of the Dirac cone.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗