10 CFR 810.6 - Authorization requirement.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Authorization requirement. 810.6 Section 810.6 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.6 Authorization requirement. Section 57b of the Atomic Energy Act in pertinent part provides that: It shall be unlawful for any person...

10 CFR 810.6 - Authorization requirement.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Authorization requirement. 810.6 Section 810.6 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.6 Authorization requirement. Section 57b of the Atomic Energy Act in pertinent part provides that: It shall be unlawful for any person...

10 CFR 810.6 - Authorization requirement.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Authorization requirement. 810.6 Section 810.6 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.6 Authorization requirement. Section 57b of the Atomic Energy Act in pertinent part provides that: It shall be unlawful for any person...

10 CFR 810.6 - Authorization requirement.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Authorization requirement. 810.6 Section 810.6 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.6 Authorization requirement. Section 57b of the Atomic Energy Act in pertinent part provides that: It shall be unlawful for any person...

10 CFR 810.6 - Authorization requirement.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Authorization requirement. 810.6 Section 810.6 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.6 Authorization requirement. Section 57b of the Atomic Energy Act in pertinent part provides that: It shall be unlawful for any person...

76 FR 55278 - Assistance to Foreign Atomic Energy Activities

Federal Register 2010, 2011, 2012, 2013, 2014

2011-09-07

... nor an environmental impact statement is required. C. Regulatory Flexibility Act The Regulatory... Foreign relations, Nuclear energy, Reporting and recordkeeping requirements. Issued in Washington, DC, on.... Moreover, they will benefit from a clarified request process. Generally, small businesses reported that...

10 CFR 810.10 - Grant of specific authorization.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Grant of specific authorization. 810.10 Section 810.10 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.10 Grant of specific... “sensitive nuclear technology” as defined in § 810.3, the requirements of sections 127 and 128 of the Atomic...

10 CFR 810.10 - Grant of specific authorization.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Grant of specific authorization. 810.10 Section 810.10 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.10 Grant of specific... “sensitive nuclear technology” as defined in § 810.3, the requirements of sections 127 and 128 of the Atomic...

10 CFR 810.10 - Grant of specific authorization.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Grant of specific authorization. 810.10 Section 810.10 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.10 Grant of specific... “sensitive nuclear technology” as defined in § 810.3, the requirements of sections 127 and 128 of the Atomic...

Information exchange of the Atomic Energy Society of Japan with nuclear societies worldwide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hori, Masao; Tomita, Yasushi

2000-07-01

The Atomic Energy Society of Japan (AESJ) exchanges information with nuclear societies worldwide by intersocietal communication through international councils of nuclear societies and through bilateral agreements between foreign societies and by such media as international meetings, publications, and Internet applications.

Interactions of foreign interstitial and substitutional atoms in bcc iron from ab initio calculations

NASA Astrophysics Data System (ADS)

You, Y.; Yan, M. F.

2013-05-01

C and N atoms are the most frequent foreign interstitial atoms (FIAs), and often incorporated into the surface layers of steels to enhance their properties by thermochemical treatments. Al, Si, Ti, V, Cr, Mn, Co, Ni, Cu, Nb and Mo are the most common alloying elements in steels, also can be called foreign substitutional atoms (FSAs). The FIA and FSA interactions play an important role in the diffusion of C and N atoms, and the microstructures and mechanical properties of surface modified layers. Ab initio calculations based on the density functional theory are carried out to investigate FIA interactions with FSA in ferromagnetic bcc iron. The FIA-FSA interactions are analyzed systematically from five aspects, including interaction energies, density of states (DOS), bond populations, electron density difference maps and local magnetic moments.

75 FR 59176 - DoD Mandatory Declassification Review (MDR) Program

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-27

... under Section 142 of the Atomic Energy Act of 1954, as amended. Transclassification of Foreign Nuclear... Department of Energy (or antecedent Agencies) and the Department of Defense that such information relates... atomic weapons; (2) Production of special nuclear material; or (3) Use of special nuclear material in the...

10 CFR 810.14 - Additional information.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Additional information. 810.14 Section 810.14 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.14 Additional information. The... activity to submit additional information. ...

SAVANNAH RIVER SITE'S H-CANYON FACILITY: IMPACTS OF FOREIGN OBLIGATIONS ON SPECIAL NUCLEAR MATERIAL DISPOSITION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Magoulas, V.

2013-06-03

The US has a non-proliferation policy to receive foreign and domestic research reactor returns of spent fuel materials of US origin. These spent fuel materials are returned to the Department of Energy (DOE) and placed in storage in the L-area spent fuel basin at the Savannah River Site (SRS). The foreign research reactor returns fall subject to the 123 agreements for peaceful cooperation. These “123 agreements” are named after section 123 of the Atomic Energy Act of 1954 and govern the conditions of nuclear cooperation with foreign partners. The SRS management of these foreign obligations while planning material disposition pathsmore » can be a challenge.« less

10 CFR 810.4 - Communications.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Communications. 810.4 Section 810.4 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.4 Communications. (a) All communications concerning the regulations in this part should be addressed to: U.S. Department of Energy, Washington, DC...

10 CFR 810.4 - Communications.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Communications. 810.4 Section 810.4 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.4 Communications. (a) All communications concerning the regulations in this part should be addressed to: U.S. Department of Energy, Washington, DC...

10 CFR 810.4 - Communications.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Communications. 810.4 Section 810.4 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.4 Communications. (a) All communications... and Nonproliferation. Telephone: (202) 586-2331. (b) Communications also may be delivered to the...

10 CFR 810.4 - Communications.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Communications. 810.4 Section 810.4 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.4 Communications. (a) All communications... and Nonproliferation. Telephone: (202) 586-2331. (b) Communications also may be delivered to the...

10 CFR 810.4 - Communications.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Communications. 810.4 Section 810.4 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.4 Communications. (a) All communications... and Nonproliferation. Telephone: (202) 586-2331. (b) Communications also may be delivered to the...

10 CFR 810.14 - Additional information.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Additional information. 810.14 Section 810.14 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.14 Additional information. The Department of Energy may at any time require a person engaging in any generally or specifically authorized...

10 CFR 810.14 - Additional information.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Additional information. 810.14 Section 810.14 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.14 Additional information. The Department of Energy may at any time require a person engaging in any generally or specifically authorized...

10 CFR 810.14 - Additional information.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Additional information. 810.14 Section 810.14 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.14 Additional information. The Department of Energy may at any time require a person engaging in any generally or specifically authorized...

10 CFR 810.14 - Additional information.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Additional information. 810.14 Section 810.14 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.14 Additional information. The Department of Energy may at any time require a person engaging in any generally or specifically authorized...

10 CFR 810.5 - Interpretations.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Interpretations. 810.5 Section 810.5 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.5 Interpretations. A person may request the advice of the Director, Nuclear Transfer and Supplier Policy Division (NN-43), on whether a proposed...

10 CFR 810.9 - Restrictions on general and specific authorization.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Restrictions on general and specific authorization. 810.9 Section 810.9 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.9 Restrictions on general and specific authorization. A general or specific authorization granted by the...

10 CFR 810.5 - Interpretations.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Interpretations. 810.5 Section 810.5 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.5 Interpretations. A person may request the advice of the Director, Nuclear Transfer and Supplier Policy Division (NN-43), on whether a proposed...

10 CFR 810.9 - Restrictions on general and specific authorization.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Restrictions on general and specific authorization. 810.9 Section 810.9 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.9 Restrictions on general and specific authorization. A general or specific authorization granted by the...

10 CFR 810.12 - Information required in an application for specific authorization.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Information required in an application for specific authorization. 810.12 Section 810.12 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.12 Information required in an application for specific authorization. Each application shall...

10 CFR 810.5 - Interpretations.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Interpretations. 810.5 Section 810.5 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.5 Interpretations. A person may request the advice of the Director, Nuclear Transfer and Supplier Policy Division (NN-43), on whether a proposed...

10 CFR 810.9 - Restrictions on general and specific authorization.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Restrictions on general and specific authorization. 810.9 Section 810.9 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.9 Restrictions on general and specific authorization. A general or specific authorization granted by the...

10 CFR 810.12 - Information required in an application for specific authorization.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Information required in an application for specific authorization. 810.12 Section 810.12 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.12 Information required in an application for specific authorization. Each application shall...

10 CFR 810.9 - Restrictions on general and specific authorization.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Restrictions on general and specific authorization. 810.9 Section 810.9 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.9 Restrictions on general and specific authorization. A general or specific authorization granted by the...

10 CFR 810.5 - Interpretations.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Interpretations. 810.5 Section 810.5 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.5 Interpretations. A person may request the advice of the Director, Nuclear Transfer and Supplier Policy Division (NN-43), on whether a proposed...

10 CFR 810.12 - Information required in an application for specific authorization.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Information required in an application for specific authorization. 810.12 Section 810.12 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.12 Information required in an application for specific authorization. Each application shall...

10 CFR 810.9 - Restrictions on general and specific authorization.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Restrictions on general and specific authorization. 810.9 Section 810.9 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.9 Restrictions on general and specific authorization. A general or specific authorization granted by the...

10 CFR 810.12 - Information required in an application for specific authorization.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Information required in an application for specific authorization. 810.12 Section 810.12 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.12 Information required in an application for specific authorization. Each application shall...

10 CFR 810.12 - Information required in an application for specific authorization.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Information required in an application for specific authorization. 810.12 Section 810.12 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.12 Information required in an application for specific authorization. Each application shall...

10 CFR 810.5 - Interpretations.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Interpretations. 810.5 Section 810.5 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.5 Interpretations. A person may request the advice of the Director, Nuclear Transfer and Supplier Policy Division (NN-43), on whether a proposed...

10 CFR 810.13 - Reports.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Reports. 810.13 Section 810.13 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.13 Reports. (a) Any person who has received a specific... report containing the following information: (1) The name, address, and citizenship of the person...

10 CFR 810.13 - Reports.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Reports. 810.13 Section 810.13 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.13 Reports. (a) Any person who has received a specific... report containing the following information: (1) The name, address, and citizenship of the person...

10 CFR 810.13 - Reports.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Reports. 810.13 Section 810.13 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.13 Reports. (a) Any person who has received a specific... report containing the following information: (1) The name, address, and citizenship of the person...

10 CFR 810.13 - Reports.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Reports. 810.13 Section 810.13 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.13 Reports. (a) Any person who has received a specific authorization shall within 30 days after beginning the authorized activity provide to the Department of Energy a...

10 CFR 810.13 - Reports.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Reports. 810.13 Section 810.13 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.13 Reports. (a) Any person who has received a specific authorization shall within 30 days after beginning the authorized activity provide to the Department of Energy a...

10 CFR 810.2 - Scope.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Scope. 810.2 Section 810.2 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.2 Scope. 10 CFR part 810: (a) Applies to all persons subject to the jurisdiction of the United States who engage directly or indirectly in the production of...

10 CFR 810.2 - Scope.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Scope. 810.2 Section 810.2 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.2 Scope. 10 CFR part 810: (a) Applies to all persons subject to the jurisdiction of the United States who engage directly or indirectly in the production of...

10 CFR 810.2 - Scope.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Scope. 810.2 Section 810.2 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.2 Scope. 10 CFR part 810: (a) Applies to all persons subject to the jurisdiction of the United States who engage directly or indirectly in the production of...

10 CFR 810.2 - Scope.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Scope. 810.2 Section 810.2 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.2 Scope. 10 CFR part 810: (a) Applies to all persons subject to the jurisdiction of the United States who engage directly or indirectly in the production of...

10 CFR 810.2 - Scope.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Scope. 810.2 Section 810.2 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.2 Scope. 10 CFR part 810: (a) Applies to all persons subject to the jurisdiction of the United States who engage directly or indirectly in the production of...

76 FR 65634 - Assistance to Foreign Atomic Energy Activities

Federal Register 2010, 2011, 2012, 2013, 2014

2011-10-24

... Nuclear Nonproliferation (NA-20), Office of Nonproliferation and International Security (NA-24), 1000... Administrator for Defense Nuclear Nonproliferation, National Nuclear Security Administration, U.S. Department of...

10 CFR 810.16 - Effective date and savings clause.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Effective date and savings clause. 810.16 Section 810.16 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.16 Effective date and savings clause. Except for actions that may be taken by DOE pursuant to § 810.11, the regulations in this...

10 CFR 810.16 - Effective date and savings clause.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Effective date and savings clause. 810.16 Section 810.16 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.16 Effective date and savings clause. Except for actions that may be taken by DOE pursuant to § 810.11, the regulations in this...

10 CFR 810.16 - Effective date and savings clause.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Effective date and savings clause. 810.16 Section 810.16 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.16 Effective date and savings clause. Except for actions that may be taken by DOE pursuant to § 810.11, the regulations in this...

10 CFR 810.16 - Effective date and savings clause.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Effective date and savings clause. 810.16 Section 810.16 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.16 Effective date and savings clause. Except for actions that may be taken by DOE pursuant to § 810.11, the regulations in this...

10 CFR 810.16 - Effective date and savings clause.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Effective date and savings clause. 810.16 Section 810.16 Energy DEPARTMENT OF ENERGY ASSISTANCE TO FOREIGN ATOMIC ENERGY ACTIVITIES § 810.16 Effective date and savings clause. Except for actions that may be taken by DOE pursuant to § 810.11, the regulations in this...

48 CFR 904.7101 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-10-01

.... Foreign government means any governing body organized and existing under the laws of any country other...) Restricted Data, as defined in the Atomic Energy Act of 1954, as amended; (4) Special Access Program (SAP...

48 CFR 904.7101 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-10-01

.... Foreign government means any governing body organized and existing under the laws of any country other...) Restricted Data, as defined in the Atomic Energy Act of 1954, as amended; (4) Special Access Program (SAP...

48 CFR 904.7101 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-10-01

.... Foreign government means any governing body organized and existing under the laws of any country other...) Restricted Data, as defined in the Atomic Energy Act of 1954, as amended; (4) Special Access Program (SAP...

22 CFR 123.20 - Nuclear related controls.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 22 Foreign Relations 1 2012-04-01 2012-04-01 false Nuclear related controls. 123.20 Section 123.20... DEFENSE ARTICLES § 123.20 Nuclear related controls. (a) The provisions of this subchapter do not apply to... of Energy or the Nuclear Regulatory Commission pursuant to the Atomic Energy Act of 1954, as amended...

22 CFR 123.20 - Nuclear related controls.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 22 Foreign Relations 1 2011-04-01 2011-04-01 false Nuclear related controls. 123.20 Section 123.20... DEFENSE ARTICLES § 123.20 Nuclear related controls. (a) The provisions of this subchapter do not apply to... of Energy or the Nuclear Regulatory Commission pursuant to the Atomic Energy Act of 1954, as amended...

22 CFR 123.20 - Nuclear related controls.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 22 Foreign Relations 1 2010-04-01 2010-04-01 false Nuclear related controls. 123.20 Section 123.20... DEFENSE ARTICLES § 123.20 Nuclear related controls. (a) The provisions of this subchapter do not apply to... of Energy or the Nuclear Regulatory Commission pursuant to the Atomic Energy Act of 1954, as amended...

22 CFR 123.20 - Nuclear related controls.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 22 Foreign Relations 1 2013-04-01 2013-04-01 false Nuclear related controls. 123.20 Section 123.20... DEFENSE ARTICLES § 123.20 Nuclear related controls. (a) The provisions of this subchapter do not apply to... of Energy or the Nuclear Regulatory Commission pursuant to the Atomic Energy Act of 1954, as amended...

48 CFR 252.209-7002 - Disclosure of ownership or control by a foreign government.

Code of Federal Regulations, 2010 CFR

2010-10-01

... unclassified keys; (iii) Restricted Data as defined in the U.S. Atomic Energy Act of 1954, as amended; (iv... following format: Offeror's Point of Contact for Questions about Disclosure (Name and Phone Number with...

When Do Commercial Reactors Permanently Shut Down?

EIA Publications

2011-01-01

For those wishing to obtain current data, the following resources are available: U.S. reactors, go to the Energy Information Administration's nuclear reactor shutdown list. (Note: As of April 30, 2010, the last U.S. reactor to permanently shut down was Big Rock Point in 1997.) Foreign Reactors, go to the Power Reactor Information System (PRIS) on the International Atomic Energy Agency's website.

78 FR 46829 - Assistance to Foreign Atomic Energy Activities

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-02

... Departments of Commerce and State Approved Activities 9. Medical Isotope Production 10. Activities Carried Out... production of special nuclear material (SNM). Proposed Sec. 810.2(c) would identify exempt activities, some... activities do not involve the production or use of special nuclear material; Production or extraction of...

Ab Initio Vibrational Levels For HO2 and Vibrational Splittings for Hydrogen Atom Transfer

NASA Technical Reports Server (NTRS)

Barclay, V. J.; Dateo, Christopher E.; Hamilton, I. P.; Arnold, James O. (Technical Monitor)

1994-01-01

We calculate vibrational levels and wave functions for HO2 using the recently reported ab initio potential energy surface of Walch and Duchovic. There is intramolecular hydrogen atom transfer when the hydrogen atom tunnels through a T-shaped saddle point separating two equivalent equilibrium geometries, and correspondingly, the energy levels are split. We focus on vibrational levels and wave functions with significant splitting. The first three vibrational levels with splitting greater than 2/cm are (15 0), (0 7 1) and (0 8 0) where V(sub 2) is the O-O-H bend quantum number. We discuss the dynamics of hydrogen atom transfer; in particular, the O-O distances at which hydrogen atom transfer is most probable for these vibrational levels. The material of the proposed presentation was reviewed and the technical content will not reveal any information not already in the public domain and will not give any foreign industry or government a competitive advantage.

Atom penetration from a thin film into the substrate during sputtering by polyenergetic Ar{sup +} ion beam with mean energy of 9.4 keV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kalin, B.A.; Gladkov, V.P.; Volkov, N.V.

Penetration of alien atoms (Be, Ni) into Be, Al, Zr, Si and diamond was investigated under Ar{sup +} ion bombardment of samples having thermally evaporated films of 30--50 nm. Sputtering was carried out using a wide energy spectrum beam of Ar{sup +} ions of 9.4 keV to dose D = 1 {times} 10{sup 16}--10{sup 19} ion/cm{sup 2}. Implanted atom distribution in the targets was measured by Rutherford backscattering spectrometry (RBS) of H{sup +} and He{sup +} ions with energy of 1.6 MeV as well as secondary ion mass-spectrometry (SIMS). During the bombardment, the penetration depth of Ar atoms increases withmore » dose linearly. This depth is more than 3--20 times deeper than the projected range of bombarding ions and recoil atoms. This is a deep action effect. The analysis shows that the experimental data for foreign atoms penetration depth are similar to the data calculated for atom migration through the interstitial site in a field of internal (lateral) compressive stresses created in the near-surface layer of the substrate as a result of implantation. Under these experimental conditions atom ratio r{sub i}/r{sub m} (r{sub i} -- radius of dopant, r{sub m} -- radius target of substrate) can play a principal determining role.« less

Central Doping of a Foreign Atom into the Silver Cluster for Catalytic Conversion of CO2 toward C-C Bond Formation.

PubMed

Liu, Yuanyuan; Chai, Xiaoqi; Cai, Xiao; Chen, Mingyang; Jin, Rongchao; Ding, Weiping; Zhu, Yan

2018-06-19

Clusters with an exact number of atoms are of particular research interest in catalysis. Their catalytic behaviors can be potentially altered with the addition or removal of a single atom. Herein we explore the effects of the single-foreign-atom (Au, Pd and Pt) doping into the core of an Ag cluster with 25-atoms on the catalytic properties, where the foreign atom is protected by 24 Ag atoms (i.e., Au@Ag24, Pd@Ag24, and Pt@Ag24). The central doping of a single atom into the Ag25 cluster is found to have a substantial influence on the catalytic performance in the carboxylation reaction of CO2 with terminal alkyne through C-C bond formation to produce propiolic acid. Our studies reveal that the catalytic properties of the cluster catalysts can be dramatically changed with the subtle alteration by a single atom away from the active sites. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

77 FR 27113 - Export and Import of Nuclear Equipment and Material; Export of International Atomic Energy Agency...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-05-09

... relations, Nuclear materials, Nuclear power plants and reactors, Reporting and recordkeeping requirements... Reorganization Act sec. 201 (42 U.S.C. 5841; Solar, Wind, Waste, and Geothermal Power Act of 1990 sec. 5 (42 U.S... security of the United States. Because this rule involves a foreign affairs function of the United States...

Joint Atomic Information Exchange Group information management project. Briefing outlining functions and specifications of JAIEG automated information management system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, M.G.

1983-07-20

The Joint Atomic Information Exchange Group (JAIEG) was formed in 1959. JAIEG's charter was to be the agent to determine the transmissibility of atomic information to foreign governments or regional defense organizations. JAIEG, operating from the joint policy direction of the Deputy Assistant Secretary for Military Application under the Department of Energy and of the Assistant to the Secretary of Defense for Atomic Energy under the Department of Defense, determines in a uniform and consistent manner the transmissibility of Restricted Data (RD) and Formerly Restricted Data (FRD). JAIEG also maintains records of all transmittal of such data, and maintains recordmore » copies of all information reviewed. This information exists only on paper and must be processed manually. JAIEG's work load has grown continuously with the size of its filing system. This has prompted an investigation of the potential benefits of automating JAIEG activities. Science Applications, Inc. (SAI) has studied JAIEG procedures and has identified several areas where JAIEG information processing activities can be automated to achieve greater system efficiency.« less

A New Global Potential Energy Surface for the Hydroperoxyl Radical, HO2: Reaction Coefficients for H + O2 and Vibrational Splittings for H Atom Transfer

NASA Technical Reports Server (NTRS)

Dateo, Christopher E.; Arnold, James O. (Technical Monitor)

1994-01-01

A new analytic global potential energy surface describing the hydroperoxyl radical system H((sup 2)S) + O2(X (sup 3)Sigma((sup -)(sub g))) (reversible reaction) HO2 ((X-tilde) (sup 2)A'') (reversible reaction) O((sup 3)P) + O H (X (sup 2)Pi) has been fitted using the ab initio complete active space SCF (self-consistent-field)/externally contracted configuration interaction (CASSCF/CCI) energy calculations of Walch and Duchovic. Results of quasiclassical trajectory studies to determine the rate coefficients of the forward and reverse reactions at combustion temperatures will be presented. In addition, vibrational energy levels were calculated using the quantum DVR-DGB (discrete variable representation-distributed Gaussian basis) method and the splitting due to H atom migration is investigated. The material of the proposed presentation was reviewed and the technical content will not reveal any information not already in the public domain and will not give any foreign industry or government a competitive advantage.

Theoretical Study of Energy Levels and Transition Probabilities of Boron Atom

NASA Astrophysics Data System (ADS)

Tian Yi, Zhang; Neng Wu, Zheng

2009-08-01

Full Text PDF Though the electrons configuration for boron atom is simple and boron atom has long been of interest for many researchers, the theoretical studies for properties of BI are not systematic, there are only few results reported on energy levels of high excited states of boron, and transition measurements are generally restricted to transitions involving ground states and low excited states without considering fine structure effects, provided only multiplet results, values for transitions between high excited states are seldom performed. In this article, by using the scheme of the weakest bound electron potential model theory calculations for energy levels of five series are performed and with the same method we give the transition probabilities between excited states with considering fine structure effects. The comprehensive set of calculations attempted in this paper could be of some value to workers in the field because of the lack of published calculations for the BI systems. The perturbations coming from foreign perturbers are taken into account in studying the energy levels. Good agreement between our results and the accepted values taken from NIST has been obtained. We also reported some values of energy levels and transition probabilities not existing on the NIST data bases.

Effect of atomic-scale defects and dopants on phosphorene electronic structure and quantum transport properties

DOE PAGES

Lopez-Bezanilla, Alejandro

2016-01-20

By means of a multi-scale first-principles approach, a description of the local electronic structure of 2D and narrow phosphorene sheets with various types of modifications is presented. Firtly, a rational argument based on the geometry of the pristine and modified P network, and supported by the Wannier functions formalism is introduced to describe a hybridization model of the P atomic orbitals. Ab initio calculations show that non-isoelectronic foreign atoms form quasi-bound states at varying energy levels and create different polarization states depending on the number of valence electrons between P and the doping atom. The quantum transport properties of modifiedmore » phosphorene ribbons are further described with great accuracy. The distortions on the electronic bands induced by the external species lead to strong backscattering effects on the propagating charge carriers. Depending on the energy of the charge carrier and the type of doping, the conduction may range from the diffusive to the localized regime. Interstitial defects at vacant sites lead to homogeneous transport fingerprints across different types of doping atoms. We suggest that the relatively low values of charge mobility reported in experimental measurements may have its origin in the presence of defects.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lopez-Bezanilla, Alejandro

By means of a multi-scale first-principles approach, a description of the local electronic structure of 2D and narrow phosphorene sheets with various types of modifications is presented. Firtly, a rational argument based on the geometry of the pristine and modified P network, and supported by the Wannier functions formalism is introduced to describe a hybridization model of the P atomic orbitals. Ab initio calculations show that non-isoelectronic foreign atoms form quasi-bound states at varying energy levels and create different polarization states depending on the number of valence electrons between P and the doping atom. The quantum transport properties of modifiedmore » phosphorene ribbons are further described with great accuracy. The distortions on the electronic bands induced by the external species lead to strong backscattering effects on the propagating charge carriers. Depending on the energy of the charge carrier and the type of doping, the conduction may range from the diffusive to the localized regime. Interstitial defects at vacant sites lead to homogeneous transport fingerprints across different types of doping atoms. We suggest that the relatively low values of charge mobility reported in experimental measurements may have its origin in the presence of defects.« less

Atomistic simulation of mineral-melt trace-element partitioning

NASA Astrophysics Data System (ADS)

Allan, Neil L.; Du, Zhimei; Lavrentiev, Mikhail Yu.; Blundy, Jon D.; Purton, John A.; van Westrenen, Wim

2003-09-01

We discuss recent advances in computational approaches to trace-element incorporation in minerals and melts. It is crucial to take explicit account of the local structural environment of each ion in the solid and the change in this environment following the introduction of a foreign atom or atoms. Particular attention is paid to models using relaxation (strain) energies and solution energies, and the use of these different models for isovalent and heterovalent substitution in diopside and forsterite. Solution energies are also evaluated for pyrope and grossular garnets, and pyrope-grossular solid solutions. Unfavourable interactions between dodecahedral sites containing ions of the same size and connected by an intervening tetrahedron lead to larger solubilities of trace elements in the garnet solid solution than in either end member compound and to the failure of Goldschmidt's first rule. Our final two examples are the partitioning behaviour of noble gases, which behave as 'ions of zero charge' and the direct calculation of high-temperature partition coefficients between CaO solid and melt via Monte Carlo simulations.

First-principles calculation of defect free energies: General aspects illustrated in the case of bcc Fe

NASA Astrophysics Data System (ADS)

Murali, D.; Posselt, M.; Schiwarth, M.

2015-08-01

Modeling of nanostructure evolution in solids requires comprehensive data on the properties of defects such as the vacancy and foreign atoms. Since most processes occur at elevated temperatures, not only the energetics of defects in the ground state, but also their temperature-dependent free energies must be known. The first-principles calculation of contributions of phonon and electron excitations to free formation, binding, and migration energies of defects is illustrated in the case of bcc Fe. First of all, the ground-state properties of the vacancy, the foreign atoms Cu, Y, Ti, Cr, Mn, Ni, V, Mo, Si, Al, Co, O, and the O-vacancy pair are determined under constant volume (CV) as well as zero-pressure (ZP) conditions, and relations between the results of both kinds of calculations are discussed. Second, the phonon contribution to defect free energies is calculated within the harmonic approximation using the equilibrium atomic positions determined in the ground state under CV and ZP conditions. In most cases, the ZP-based free formation energy decreases monotonously with temperature, whereas for CV-based data both an increase and a decrease were found. The application of a quasiharmonic correction to the ZP-based data does not modify this picture significantly. However, the corrected data are valid under zero-pressure conditions at higher temperatures than in the framework of the purely harmonic approach. The difference between CV- and ZP-based data is mainly due to the volume change of the supercell since the relative arrangement of atoms in the environment of the defects is nearly identical in the two cases. A simple transformation similar to the quasiharmonic approach is found between the CV- and ZP-based frequencies. Therefore, it is not necessary to calculate these quantities and the corresponding defect free energies separately. In contrast to ground-state energetics, the CV- and ZP-based defect free energies do not become equal with increasing supercell size. Third, it was found that the contribution of electron excitations to the defect free energy can lead to an additional deviation of the total free energy from the ground-state value or can compensate the deviation caused by the phonon contribution. Finally, self-diffusion via the vacancy mechanism is investigated. The ratio of the respective CV- and ZP-based results for the vacancy diffusivity is nearly equal to the reciprocal of that for the equilibrium concentration. This behavior leads to almost identical CV- and ZP-based values for the self-diffusion coefficient. Obviously, this agreement is accidental. The consideration of the temperature dependence of the magnetization yields self-diffusion data in very good agreement with experiments.

Doping of Semiconducting Atomic Chains

NASA Technical Reports Server (NTRS)

Toshishige, Yamada; Kutler, Paul (Technical Monitor)

1997-01-01

Due to the rapid progress in atom manipulation technology, atomic chain electronics would not be a dream, where foreign atoms are placed on a substrate to form a chain, and its electronic properties are designed by controlling the lattice constant d. It has been shown theoretically that a Si atomic chain is metallic regardless of d and that a Mg atomic chain is semiconducting or insulating with a band gap modified with d. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along the chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome this dilemma, we may place a dopant atom beside the chain at every N lattice periods (N > 1). Because of the periodic arrangement of dopant atoms, we can avoid the unwanted Anderson localization. Moreover, since the dopant atoms do not constitute the chain, the overlap interaction between them is minimized, and the band structure modification can be made smallest. Some tight-binding results will be discussed to demonstrate the present idea.

Importance of interatomic spacing in catalytic reduction of oxygen in phosphoric acid

NASA Technical Reports Server (NTRS)

Jalan, V.; Taylor, E. J.

1983-01-01

A correlation between the nearest-neighbor distance and the oxygen reduction activity of various platinum alloys is reported. It is proposed that the distance between nearest-neighbor Pt atoms on the surface of a supported catalyst is not ideal for dual site absorption of O2 or 'HO2' and that the introduction of foreign atoms which reduce the Pt nearest-neighbor spacing would result in higher oxygen reduction activity. This may allow the critical 0-0 bond interatomic distance and hence the optimum Pt-Pt separation for bond rupture to be determined from quantum chemical calculations. A composite analysis shows that the data on supported Pt alloys are consistent with Appleby's (1970) data on bulk metals with respect to specific activity, activation energy, preexponential factor, and percent d-band character.

Doping Scheme in Atomic Chain Electronics

NASA Technical Reports Server (NTRS)

Toshishige, Yamada

1997-01-01

Due to the dramatic reduction in MOS size, there appear many unwanted effects. In these small devices, the number of dopant atoms in the channel is not macroscopic and electrons may suffer significantly different scattering from device to device since the spatial distribution of dopant atoms is no longer regarded as continuous. This prohibits integration, while it is impossible to control such dopant positions within atomic scale. A fundamental solution is to create electronics with simple but atomically precise structures, which could be fabricated with recent atom manipulation technology. All the constituent atoms are placed as planned, and then the device characteristics are deviation-free, which is mandatory for integration. Atomic chain electronics belongs to this category. Foreign atom chains or arrays form devices, and they are placed on the atomically flat substrate surface. We can design the band structure and the resultant Fermi energy of these structures by manipulating the lattice constant. Using the tight-binding theory with universal parameters, it has been predicted that isolated Si chains and arrays are metallic, Mg chains are insulating, and Mg arrays have metallic and insulating phases [1]. The transport properties along a metallic chain have been studied, emphasizing the role of the contact to electrodes [2]. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along die chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome this dilemma, we may place a dopant atom beside the chain at every N lattice periods (N > 1). Because of the periodic arrangement of pant atoms, we can avoid the unwanted Anderson localization. Moreover, since the dopant atoms do not constitute the chain, the overlap interaction between them is minimized, and the band structure modification can be made smallest. Some tight-binding results will be discussed to demonstrate the present idea.

Electronic properties of B and Al doped graphane: A hybrid density functional study

NASA Astrophysics Data System (ADS)

Mapasha, R. E.; Igumbor, E.; Andriambelaza, N. F.; Chetty, N.

2018-04-01

Using a hybrid density functional theory approach parametrized by Heyd, Scuseria and Ernzerhof (HSE06 hybrid functional), we study the energetics, structural and electronic properties of a graphane monolayer substitutionally doped with the B (BCH) and Al (AlCH) atoms. The BCH defect can be integrated within a graphane monolayer at a relative low formation energy, without major structural distortions and symmetry breaking. The AlCH defect relaxes outward of the monolayer and breaks the symmetry. The density of states plots indicate that BCH doped graphane monolayer is a wide band gap semiconductor, whereas the AlCH defect introduces the spin dependent mid gap states at the vicinity of the Fermi level, revealing a metallic character with the pronounced magnetic features. We further examine the response of the Al dependent spin states on the multiple charge states doping. We find that the defect formation energy, structural and electronic properties can be altered via charge state modulation. The +1 charge doping opens an energy band gap of 1.75 eV. This value corresponds to the wavelength in the visible spectrum, suggesting an ideal material for solar cell absorbers. Our study fine tunes the graphane band gap through the foreign atom doping as well as via defect charge state modulation.

Replacing critical rare earth materials in high energy density magnets

NASA Astrophysics Data System (ADS)

McCallum, R. William

2012-02-01

High energy density permanent magnets are crucial to the design of internal permanent magnet motors (IPM) for hybride and electric vehicles and direct drive wind generators. Current motor designs use rare earth permanent magnets which easily meet the performance goals, however, the rising concerns over cost and foreign control of the current supply of rare earth resources has motivated a search for non-rare earth based permanent magnets alloys with performance metrics which allow the design of permanent magnet motors and generators without rare earth magnets. This talk will discuss the state of non-rare-earth permanent magnets and efforts to both improve the current materials and find new materials. These efforts combine first principles calculations and meso-scale magnetic modeling with advance characterization and synthesis techniques in order to advance the state of the art in non rare earth permanent magnets. The use of genetic algorithms in first principle structural calculations, combinatorial synthesis in the experimental search for materials, atom probe microscopy to characterize grain boundaries on the atomic level, and other state of the art techniques will be discussed. In addition the possibility of replacing critical rare earth elements with the most abundant rare earth Ce will be discussed.

10 CFR 603.875 - Foreign access to technology and U.S. competitiveness provisions.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Foreign access to technology and U.S. competitiveness provisions. 603.875 Section 603.875 Energy DEPARTMENT OF ENERGY (CONTINUED) ASSISTANCE REGULATIONS TECHNOLOGY... Foreign access to technology and U.S. competitiveness provisions. (a) Consistent with the objective of...

10 CFR 603.875 - Foreign access to technology and U.S. competitiveness provisions.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Foreign access to technology and U.S. competitiveness provisions. 603.875 Section 603.875 Energy DEPARTMENT OF ENERGY (CONTINUED) ASSISTANCE REGULATIONS TECHNOLOGY... Foreign access to technology and U.S. competitiveness provisions. (a) Consistent with the objective of...

10 CFR 603.875 - Foreign access to technology and U.S. competitiveness provisions.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Foreign access to technology and U.S. competitiveness provisions. 603.875 Section 603.875 Energy DEPARTMENT OF ENERGY (CONTINUED) ASSISTANCE REGULATIONS TECHNOLOGY... Foreign access to technology and U.S. competitiveness provisions. (a) Consistent with the objective of...

10 CFR 603.875 - Foreign access to technology and U.S. competitiveness provisions.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Foreign access to technology and U.S. competitiveness provisions. 603.875 Section 603.875 Energy DEPARTMENT OF ENERGY (CONTINUED) ASSISTANCE REGULATIONS TECHNOLOGY... Foreign access to technology and U.S. competitiveness provisions. (a) Consistent with the objective of...

Effects of single atom doping on the ultrafast electron dynamics of M1Au24(SR)18 (M = Pd, Pt) nanoclusters

NASA Astrophysics Data System (ADS)

Zhou, Meng; Qian, Huifeng; Sfeir, Matthew Y.; Nobusada, Katsuyuki; Jin, Rongchao

2016-03-01

Atomically precise, doped metal clusters are receiving wide research interest due to their synergistic properties dependent on the metal composition. To understand the electronic properties of doped clusters, it is highly desirable to probe the excited state behavior. Here, we report the ultrafast relaxation dynamics of doped M1@Au24(SR)18 (M = Pd, Pt; R = CH2CH2Ph) clusters using femtosecond visible and near infrared transient absorption spectroscopy. Three relaxation components are identified for both mono-doped clusters: (1) sub-picosecond relaxation within the M1Au12 core states; (2) core to shell relaxation in a few picoseconds; and (3) relaxation back to the ground state in more than one nanosecond. Despite similar relaxation pathways for the two doped nanoclusters, the coupling between the metal core and surface ligands is accelerated by over 30% in the case of the Pt dopant compared with the Pd dopant. Compared to Pd doping, the case of Pt doping leads to much more drastic changes in the steady state and transient absorption of the clusters, which indicates that the 5d orbitals of the Pt atom are more strongly mixed with Au 5d and 6s orbitals than the 4d orbitals of the Pd dopant. These results demonstrate that a single foreign atom can lead to entirely different excited state spectral features of the whole cluster compared to the parent Au25(SR)18 cluster. The detailed excited state dynamics of atomically precise Pd/Pt doped gold clusters help further understand their properties and benefit the development of energy-related applications.Atomically precise, doped metal clusters are receiving wide research interest due to their synergistic properties dependent on the metal composition. To understand the electronic properties of doped clusters, it is highly desirable to probe the excited state behavior. Here, we report the ultrafast relaxation dynamics of doped M1@Au24(SR)18 (M = Pd, Pt; R = CH2CH2Ph) clusters using femtosecond visible and near infrared transient absorption spectroscopy. Three relaxation components are identified for both mono-doped clusters: (1) sub-picosecond relaxation within the M1Au12 core states; (2) core to shell relaxation in a few picoseconds; and (3) relaxation back to the ground state in more than one nanosecond. Despite similar relaxation pathways for the two doped nanoclusters, the coupling between the metal core and surface ligands is accelerated by over 30% in the case of the Pt dopant compared with the Pd dopant. Compared to Pd doping, the case of Pt doping leads to much more drastic changes in the steady state and transient absorption of the clusters, which indicates that the 5d orbitals of the Pt atom are more strongly mixed with Au 5d and 6s orbitals than the 4d orbitals of the Pd dopant. These results demonstrate that a single foreign atom can lead to entirely different excited state spectral features of the whole cluster compared to the parent Au25(SR)18 cluster. The detailed excited state dynamics of atomically precise Pd/Pt doped gold clusters help further understand their properties and benefit the development of energy-related applications. Electronic supplementary information (ESI) available: The pump dependent transient absorption spectra and the corresponding global analysis results. See DOI: 10.1039/c6nr01008c

77 FR 34935 - Foreign-Trade Zone 161; Temporary/Interim Manufacturing Authority; Siemens Energy, Inc., (Wind...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-12

... DEPARTMENT OF COMMERCE Foreign-Trade Zones Board [Docket T-4-2012] Foreign-Trade Zone 161; Temporary/Interim Manufacturing Authority; Siemens Energy, Inc., (Wind Turbine Nacelles and Hubs); Notice of Approval On April 2, 2012, the Executive Secretary of the Foreign-Trade Zones (FTZ) Board filed an application submitted by the Board of County...

Structural, electronic and optical properties of CO adsorbed on the defective anatase TiO2 (101) surface; a DFT study

NASA Astrophysics Data System (ADS)

Rafique, Muhammad; Shuai, Yong; Hassan, Muhammad

2017-08-01

This paper illustrates the study of stable structural, electronic and optical properties of carbon mono oxide (CO) molecule adsorbed on pure anatase TiO2 (101) surface and CO molecule adsorbed on defective anatase TiO2 (101) surface containing oxygen (O) atom subsurface vacancy using first-principles study calculations based on density functional theory (DFT) method. A foreign molecule CO was added in the interstitial space of anatase TiO2 (101) surface. It was observed that, adsorption of CO molecule is not favorable on pure anatase TiO2 (101) surface, however adsorption process is improved when subsurface contains O atom vacancy defect. In case of anatase TiO2 (101) surface containing subsurface vacancy, adsorption process is exothermic, resulting in stable structures. The adsorption energies calculated for CO molecules adsorbed at O2c site, at defect site and at Ti5c site of anatase surface containing subsurface O vacancy are 0.16 eV (at O2c), 0.32 eV (at defect site) and 0.43 eV (at Ti5c) site. DOS and PDOS plots are calculated for all the structures. Results indicated that CO molecule adsorption introduces surface states at the Fermi energy level (EF) as shown in partial density of states (PDOS) plots. The dielectric matrix and absorption coefficient (α) for defective anatase TiO2 (101) surface, CO adsorbed at O2c site, at defect site and at Ti5C site of anatase TiO2 (101) surface containing O atom subsurface vacancy has been calculated within the random phase approximation (RPA) using VASP (Vienna ab-initio simulation package) code. It was observed that upon CO adsorption at defective anatase surface, real and imaginary dielectric function peaks were shifted towards lower energy level and a small absorption peak was observed at 1.1 eV energy level which is not present in case of defective anatase (101) surface. CO adsorption produces a red shift in the absorption spectrum of anatase TiO2 (101) surface containing subsurface O atom vacancy.

Atomic vapor laser isotope separation in France

NASA Astrophysics Data System (ADS)

Camarcat, Noel; Lafon, Alain; Perves, Jean-Pierre; Rosengard, Alex; Sauzay, Guy

1993-05-01

France has developed a very complete nuclear industry, from mining to reprocessing and radwastes management, and now has a major electro-nuclear park, with 55 power reactors, supplying 75% of the nation's electricity and representing 32% of its energy requirements. The modern multinational EURODIF enrichment plant in Pierrelatte in the south of the country supplies these reactors with enriched uranium as well as foreign utilities (30% exports). It works smoothly and has continuously been improved to reduce operating costs and to gain flexibility and longevity. Investment costs will be recovered at the turn of the century. The plant will be competitive well ahead of an aging production park, with large overcapacity, in other countries. Meanwhile, world needs will increase only slightly during the next 15 years, apart from the Asian Pacific area, but many world governments are becoming well aware of the necessity to progressively resume nuclear energy development worldwide from the year 2000 on.

10 CFR 70.14 - Foreign military aircraft.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 2 2010-01-01 2010-01-01 false Foreign military aircraft. 70.14 Section 70.14 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) DOMESTIC LICENSING OF SPECIAL NUCLEAR MATERIAL Exemptions § 70.14 Foreign military aircraft. The regulations in this part do not apply to persons who carry special...

Characteristics of Matrix Metals in Which Fast Diffusion of Foreign Metallic Elements Occurs

NASA Astrophysics Data System (ADS)

Mae, Yoshiharu

2018-04-01

A few foreign elements are known to diffuse faster than the self-diffusion of the matrix metal. However, the characteristics of the matrix metal, which contribute to such fast diffusion remain unknown. In this study, the diffusion coefficients of various elements were plotted on a TC-YM diagram. The matrix metals that show fast diffusion are located in the low thermal conductivity range of the TC-YM diagram, while diffuser elements that undergo fast diffusion are mainly gulf elements such as Fe, Ni, Co, Cr, and Cu. The gulf elements are those that show the largest combination of thermal conductivity and Young's modulus. The great difference in the electron mobility between the matrix metal and diffuser elements generates a repulsive force between them, and the repulsive force—acting between the soft and large atoms of the matrix metal and the hard and small atoms of the diffuser elements—deforms the atoms of the matrix metal to open passageways for fast diffusion of diffuser elements.

78 FR 62299 - Combined Notice of Filings #2

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-15

.../28/13. Docket Numbers: FC14-5-000. Applicants: Sandringham Solar Energy Partnership. Description: Self-Certification of Foreign Utility Company Status of Sandringham Solar Energy Partnership. Filed...-6-000. Applicants: Woodville Solar Energy Partnership. Description: Self-Certification of Foreign...

Privatization and the globalization of energy markets

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1996-10-01

This report reviews recent global efforts to privatize energy resources and outlines the opportunities and challenges privatization has presented to U.S. and foreign multinational energy companies. The group of energy companies studied in this report includes the major U.S. petroleum companies and many foreign companies. The foreign companies reviewed include state-run energy enterprises, recently privatized energy enterprises, and foreign multinationals that have been privately held. The privatization of non-petroleum energy industries, such as electricity generation and transmission, natural gas transmission, and coal mining, are also discussed. Overseas investments made by electric companies, natural gas companies, and coal companies are included.more » The report is organized into six chapters: (1) economics of privatization; (2) petroleum privatization efforts among non-U.S. Organization for Economic Cooperation and Development nations; (3) petroleum privatization efforts in Latin America; (4) privatization in socialist and former socialist regimes; (5) privatization efforts in global electric power generation, transmission, and distribution industries; and (6) privatization and globalization of world coal.« less

Partitioning dynamic electron correlation energy: Viewing Møller-Plesset correlation energies through Interacting Quantum Atom (IQA) energy partitioning

NASA Astrophysics Data System (ADS)

McDonagh, James L.; Vincent, Mark A.; Popelier, Paul L. A.

2016-10-01

Here MP2, MP3 and MP4(SDQ) are energy-partitioned for the first time within the Interacting Quantum Atoms (IQA) context, as proof-of-concept for H2, He2 and HF. Energies are decomposed into four primary energy contributions: (i) atomic self-energies, and atomic interaction energies comprising of (ii) Coulomb, (iii) exchange and (iv) dynamic election correlation terms. We generate and partition one- and two-particle density-matrices to obtain all atomic energy components. This work suggests that, in terms of Van der Waals dispersion, the correlation energies represent an atomic stabilisation, by proximity to other atoms, as opposed to direct interactions with other nearby atoms.

Energy band gaps in graphene nanoribbons with corners

NASA Astrophysics Data System (ADS)

Szczȩśniak, Dominik; Durajski, Artur P.; Khater, Antoine; Ghader, Doried

2016-05-01

In the present paper, we study the relation between the band gap size and the corner-corner length in representative chevron-shaped graphene nanoribbons (CGNRs) with 120° and 150° corner edges. The direct physical insight into the electronic properties of CGNRs is provided within the tight-binding model with phenomenological edge parameters, developed against recent first-principle results. We show that the analyzed CGNRs exhibit inverse relation between their band gaps and corner-corner lengths, and that they do not present a metal-insulator transition when the chemical edge modifications are introduced. Our results also suggest that the band gap width for the CGNRs is predominantly governed by the armchair edge effects, and is tunable through edge modifications with foreign atoms dressing.

The Overwhelmed Generation and Foreign Language Teacher Preparation: Developing Strategies to Work with the Mental Health Challenges of Preservice Teachers

ERIC Educational Resources Information Center

Schrier, Leslie L.

2008-01-01

For the last two decades the foreign language education profession has spent considerable energy establishing professional guidelines for foreign language teacher preparation. This article discusses research that suggests that the profession should now direct its energies toward developing protocols to assist preservice teachers whose mental…

78 FR 41911 - Foreign-Trade Zone 161-Sedgwick County, Kansas; Authorization of Production Activity; Siemens...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-12

... DEPARTMENT OF COMMERCE Foreign-Trade Zones Board [B-27-2013] Foreign-Trade Zone 161--Sedgwick County, Kansas; Authorization of Production Activity; Siemens Energy, Inc. (Wind Turbine Nacelles and Hubs); Hutchinson, Kansas On March 7, 2013, Siemens Energy, Inc., an operator of FTZ 161, submitted a notification of proposed production activity to...

48 CFR 952.204-73 - Facility clearance.

Code of Federal Regulations, 2014 CFR

2014-10-01

....204-73 Section 952.204-73 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CLAUSES AND... granted by the Secretary of Energy. In addition, a Facility Clearance and foreign ownership, control and... Department of Energy Facility Clearance generally need not resubmit the following foreign ownership...

48 CFR 952.204-73 - Facility clearance.

Code of Federal Regulations, 2011 CFR

2011-10-01

....204-73 Section 952.204-73 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CLAUSES AND... granted by the Secretary of Energy. In addition, a Facility Clearance and foreign ownership, control and... Department of Energy Facility Clearance generally need not resubmit the following foreign ownership...

48 CFR 952.204-73 - Facility clearance.

Code of Federal Regulations, 2012 CFR

2012-10-01

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Strain-mediated electronic properties of pristine and Mn-doped GaN monolayers

NASA Astrophysics Data System (ADS)

Sharma, Venus; Srivastava, Sunita

2018-04-01

Graphene-like two-dimensional (2D) monolayer structures GaN has gained enormous amount of interest due to high thermal stability and inherent energy band gap for practical applications. First principles calculations are performed to investigate the electronic structure and strain-mediated electronic properties of pristine and Mn-doped GaN monolayer. Binding energy of Mn dopant at various adsorption site is found to be nearly same indicating these sites to be equally favorable for adsorption of foreign atom. Depending on the adsorption site, GaN monolayer can act as p-type or n-type magnetic semiconductor. The tensile strength of both pristine and doped GaN monolayer (∼24 GPa) at ultimate tensile strain of 34% is comparable with the tensile strength of graphene. The in-plane biaxial strain modulate the energy band gap of both pristine and doped-monolayer from direct to indirect gap semiconductor and finally retendered theme into metal at critical value of applied strain. These characteristics make GaN monolayer to be potential candidate for the future applications in tunable optoelectronics.

75 FR 35766 - Establishment of the Renewable Energy and Energy Efficiency Advisory Committee and Solicitation...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-06-23

.... No member may represent a company that is majority owned or controlled by a foreign government entity... member may represent a company that is majority owned or controlled by a foreign government entity or... committee of U.S. citizens who will represent U.S. companies in the renewable energy and energy efficiency...

10 CFR 1050.204 - Advance approval for acceptance of gifts or decorations.

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2010-01-01

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'Cold reality in the land of fire': The interrelations of Azerbaijan's natural gas export and foreign policy

NASA Astrophysics Data System (ADS)

Marosvari, Csaba

Azerbaijan, a landlocked post-Soviet country since its independence has been trying to utilize its energy resources in its foreign policy. With production-sharing agreements with Western oil companies beginning with the 1994 signing of the "Contract of the Century" and the construction of the Baku-Tbilisi-Ceyhan oil pipeline Azerbaijan successfully opened up its energy sector for foreign investment and used pipelines to stabilize its economy and underpin its foreign policy. The discovery of the Shah Deniz gas field opened up new opportunities for Baku to buttress its foreign policy goals with the export of natural gas. In this Master's thesis I will evaluate and show the importance and significance of natural gas export in Azerbaijani foreign policy.

15 CFR 9.7 - Department of Commerce energy conservation mark.

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2010-01-01

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Covalent bonds are created by the drive of electron waves to lower their kinetic energy through expansion

PubMed Central

Schmidt, Michael W.; Ivanic, Joseph; Ruedenberg, Klaus

2014-01-01

An analysis based on the variation principle shows that in the molecules H2+, H2, B2, C2, N2, O2, F2, covalent bonding is driven by the attenuation of the kinetic energy that results from the delocalization of the electronic wave function. For molecular geometries around the equilibrium distance, two features of the wave function contribute to this delocalization: (i) Superposition of atomic orbitals extends the electronic wave function from one atom to two or more atoms; (ii) intra-atomic contraction of the atomic orbitals further increases the inter-atomic delocalization. The inter-atomic kinetic energy lowering that (perhaps counter-intuitively) is a consequence of the intra-atomic contractions drives these contractions (which per se would increase the energy). Since the contractions necessarily encompass both, the intra-atomic kinetic and potential energy changes (which add to a positive total), the fact that the intra-atomic potential energy change renders the total potential binding energy negative does not alter the fact that it is the kinetic delocalization energy that drives the bond formation. PMID:24880263

Covalent bonds are created by the drive of electron waves to lower their kinetic energy through expansion.

PubMed

Schmidt, Michael W; Ivanic, Joseph; Ruedenberg, Klaus

2014-05-28

An analysis based on the variation principle shows that in the molecules H2 (+), H2, B2, C2, N2, O2, F2, covalent bonding is driven by the attenuation of the kinetic energy that results from the delocalization of the electronic wave function. For molecular geometries around the equilibrium distance, two features of the wave function contribute to this delocalization: (i) Superposition of atomic orbitals extends the electronic wave function from one atom to two or more atoms; (ii) intra-atomic contraction of the atomic orbitals further increases the inter-atomic delocalization. The inter-atomic kinetic energy lowering that (perhaps counter-intuitively) is a consequence of the intra-atomic contractions drives these contractions (which per se would increase the energy). Since the contractions necessarily encompass both, the intra-atomic kinetic and potential energy changes (which add to a positive total), the fact that the intra-atomic potential energy change renders the total potential binding energy negative does not alter the fact that it is the kinetic delocalization energy that drives the bond formation.

Compositional and Ionic-Size Controls on the Diffusion of Divalent Cations in Garnet: Insights from Atomistic Simulations

NASA Astrophysics Data System (ADS)

Carlson, W. D.

2012-12-01

Divalent cations in garnet (Mg, Fe, Mn, Ca) diffuse at rates that depend strongly on the host-crystal composition and on the ionic radius of the diffusant. Understanding of the nanoscale basis for these behaviors comes from atomistic simulations that calculate energies in the static limit for the defects and transition-state configurations associated with each diffusive step. Diffusion of divalent cations requires (a) creation of a cation-vacancy defect in a dodecahedral site and of a charge-compensating oxygen-vacancy defect that may or may not be in close spatial association; (b) except in the case of self-diffusion, creation of an impurity defect in which a foreign atom replaces the normal atom in a dodecahedral site adjacent to the vacancy; and (c) during the diffusive process, motion of the diffusing atom to a 'saddlepoint' position that represents the transition-state configuration. Comparisons of the system's energy in these various states, in structures of different composition and for ions of different ionic size, allows assessment of the nanoscale controls on diffusion kinetics. Molecular-statics calculations quantify defect energies and identify the transition-state configuration: the maximum energy along the diffusion path between two adjacent dodecahedral sites results when the diffusing ion is surrounded symmetrically by the six oxygen atoms that lie between the two sites. Across the range of end-member compositions, self-diffusion coefficients measured at identical conditions, and the tracer diffusivity of a single ion measured at identical conditions, can each vary by five orders of magnitude or more. Measured activation energies for these motions, however, are all equivalent to within ±6%. Calculated activation energies are in agreement with observations, in that they vary by only ±10%. Calculated vacancy-formation energies, on the other hand, are significantly larger in expanded structures; for example, that energy is greater for Prp than for Grs by ~ 470 kJ/mol. Thus in expanded structures, much higher vacancy concentrations can be produced at the same energetic cost, greatly enhancing rates of diffusion. The primary explanation for the more rapid diffusion of divalent cations in structures with larger cell dimensions therefore comes not from reduced saddlepoint strain energies in more compliant structures, but instead from the smaller energy required to create vacancy defects. Diffusivities of divalent cations exhibit a curious parabolic dependence on ionic size: for each structure, an optimally-sized ion exists, close in size to the dominant ion, that exhibits the fastest diffusion. Larger ions — and enigmatically, smaller ions — both diffuse more slowly. Calculated impurity-defect energies show that undersized impurity ions are bound more tightly in their sites, but the effects are too small in comparison to corresponding reductions in strain energy for the transition-state configuration to account for observed rate differences. Calculated vacancy-association energies reveal a slight tendency for vacancies to associate preferentially with larger impurity ions, but again the effect appears to be too small to provide a full explanation for observed behaviors.

Comparison of Atomic Oxygen Erosion Yields of Materials at Various Energy and Impact Angles

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Waters, Deborah L.; Thorson, Stephen D.; deGroh, Kim, K.; Snyder, Aaron; Miller, Sharon

2006-01-01

The atomic oxygen erosion yields of various materials, measured in volume of material oxidized per incident atomic oxygen atom, are compared to the commonly accepted standard of Kapton H (DuPont) polyimide. The ratios of the erosion yield of Kapton H to the erosion yield of various materials are not consistent at different atomic oxygen energies. Although it is most convenient to use isotropic thermal energy RF plasma ashers to assess atomic oxygen durability, the results can be misleading because the relative erosion rates at thermal energies are not necessarily the same as low Earth orbital (LEO) energies of approx.4.5 eV. An experimental investigation of the relative atomic oxygen erosion yields of a wide variety of polymers and carbon was conducted using isotropic thermal energy (approx.0.1 eV) and hyperthermal energy (approx.70 eV) atomic oxygen using an RF plasma asher and an end Hall ion source. For hyperthermal energies, the atomic oxygen erosion yields relative to normal incident Kapton H were compared for sweeping atomic oxygen arrival with that of normal incidence arrival. The results of isotropic thermal energy, normal incident, and sweeping incident atomic oxygen are also compared with measured or projected LEO values.

Effects of single atom doping on the ultrafast electron dynamics of M1Au24(SR)18 (M = Pd, Pt) nanoclusters.

PubMed

Zhou, Meng; Qian, Huifeng; Sfeir, Matthew Y; Nobusada, Katsuyuki; Jin, Rongchao

2016-04-07

Atomically precise, doped metal clusters are receiving wide research interest due to their synergistic properties dependent on the metal composition. To understand the electronic properties of doped clusters, it is highly desirable to probe the excited state behavior. Here, we report the ultrafast relaxation dynamics of doped M1@Au24(SR)18 (M = Pd, Pt; R = CH2CH2Ph) clusters using femtosecond visible and near infrared transient absorption spectroscopy. Three relaxation components are identified for both mono-doped clusters: (1) sub-picosecond relaxation within the M1Au12 core states; (2) core to shell relaxation in a few picoseconds; and (3) relaxation back to the ground state in more than one nanosecond. Despite similar relaxation pathways for the two doped nanoclusters, the coupling between the metal core and surface ligands is accelerated by over 30% in the case of the Pt dopant compared with the Pd dopant. Compared to Pd doping, the case of Pt doping leads to much more drastic changes in the steady state and transient absorption of the clusters, which indicates that the 5d orbitals of the Pt atom are more strongly mixed with Au 5d and 6s orbitals than the 4d orbitals of the Pd dopant. These results demonstrate that a single foreign atom can lead to entirely different excited state spectral features of the whole cluster compared to the parent Au25(SR)18 cluster. The detailed excited state dynamics of atomically precise Pd/Pt doped gold clusters help further understand their properties and benefit the development of energy-related applications.

Effects of single atom doping on the ultrafast electron dynamics of M 1Au 24(SR) 18 (M = Pd, Pt) nanoclusters

DOE PAGES

Zhou, Meng; Qian, Huifeng; Sfeir, Matthew Y.; ...

2016-02-29

Atomically precise, doped metal clusters are receiving wide research interest due to their synergistic properties dependent on the metal composition. To understand the electronic properties of doped clusters, it is highly desirable to probe the excited state behavior. Here, we report the ultrafast relaxation dynamics of doped M 1@Au 24(SR) 18 (M = Pd, Pt; R = CH 2CH 2Ph) clusters using femtosecond visible and near infrared transient absorption spectroscopy. Three relaxation components are identified for both mono-doped clusters: (1) sub-picosecond relaxation within the M 1Au 12 core states; (2) core to shell relaxation in a few picoseconds; and (3)more » relaxation back to the ground state in more than one nanosecond. Despite similar relaxation pathways for the two doped nanoclusters, the coupling between the metal core and surface ligands is accelerated by over 30% in the case of the Pt dopant compared with the Pd dopant. Compared to Pd doping, the case of Pt doping leads to much more drastic changes in the steady state and transient absorption of the clusters, which indicates that the 5d orbitals of the Pt atom are more strongly mixed with Au 5d and 6s orbitals than the 4d orbitals of the Pd dopant. These results demonstrate that a single foreign atom can lead to entirely different excited state spectral features of the whole cluster compared to the parent Au 25(SR) 18 cluster. As a result, the detailed excited state dynamics of atomically precise Pd/Pt doped gold clusters help further understand their properties and benefit the development of energy-related applications.« less

The effect of energy and momentum transfer during magnetron sputter deposition of yttrium oxide thin films

NASA Astrophysics Data System (ADS)

Xia, Jinjiao; Liang, Wenping; Miao, Qiang; Depla, Diederik

2018-05-01

The influence of the ratio between the energy and the deposition flux, or the energy per arriving atom, on the growth of Y2O3 sputter deposited thin films has been studied. The energy per arriving atom has been varied by the adjustment of the discharge power, and/or the target-to-substrate distance. The relationship between the energy per arriving atom and the phase evolution, grain size, microstructure, packing density and residual stress was investigated in detail. At low energy per arriving atom, the films consist of the monoclinic B phase with a preferential (1 1 1) orientation. A minority cubic C phase appears at higher energy per arriving atom. A study of the thin film cross sections showed for all films straight columns throughout the thickness, typically for a zone II microstructure. The intrinsic stress is compressive, and increases with increasing energy per atom. The same trend is observed for the film density. Simulations show that the momentum transfer per arriving atom also scales with the energy per arriving atom. Hence, the interpretation of the observed trends as a function of the energy per arriving atom must be treated with care.

Twenty Years of Clean Energy

Science.gov Websites

, 1977 as the Solar Energy Research Institute in the wake of the Arab oil embargo. In 1991, its mission growing dependence on foreign oil while creating thousands of new American jobs. Our use of energy from security and the American economy. The U.S. now imports a larger percentage of its oil from foreign sources

Atomic Mass and Nuclear Binding Energy for I-131 (Iodine)

NASA Astrophysics Data System (ADS)

Sukhoruchkin, S. I.; Soroko, Z. N.

This document is part of the Supplement containing the complete sets of data of Subvolume A `Nuclei with Z = 1 - 54' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms'. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope I-131 (Iodine, atomic number Z = 53, mass number A = 131).

Atomic Mass and Nuclear Binding Energy for F-22 (Fluorine)

NASA Astrophysics Data System (ADS)

Sukhoruchkin, S. I.; Soroko, Z. N.

This document is part of the Supplement containing the complete sets of data of Subvolume A `Nuclei with Z = 1 - 54' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms'. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope F-22 (Fluorine, atomic number Z = 9, mass number A = 22).

10 CFR 70.22 - Contents of applications.

Code of Federal Regulations, 2011 CFR

2011-01-01

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DOE Office of Scientific and Technical Information (OSTI.GOV)

The Anh, Le, E-mail: letheanh@jaist.ac.jp; Lam, Pham Tien; Manoharan, Muruganathan

We present a first-principles study on the interstitial-mediated diffusion process of neutral phosphorus (P) atoms in a silicon crystal with the presence of mono-atomic hydrogen (H). By relaxing initial Si structures containing a P atom and an H atom, we derived four low-energy P-H-Si defect complexes whose formation energies are significantly lower than those of P-Si defect complexes. These four defect complexes are classified into two groups. In group A, an H atom is located near a Si atom, whereas in group B, an H atom is close to a P atom. We found that the H atom pairs withmore » P or Si atom and changes the nature bonding between P and Si atoms from out-of-phase conjugation to in-phase conjugation. This fact results in the lower formation energies compare to the cases without H atom. For the migration of defect complexes, we have found that P-H-Si defect complexes can migrate with low barrier energies if an H atom sticks to either P or Si atom. Group B complexes can migrate from one lattice site to another with an H atom staying close to a P atom. Group A complexes cannot migrate from one lattice site to another without a transfer of an H atom from one Si atom to another Si atom. A change in the structure of defect complexes between groups A and B during the migration results in a transfer of an H atom between P and Si atoms. The results for diffusion of group B complexes show that the presence of mono-atomic H significantly reduces the activation energy of P diffusion in a Si crystal, which is considered as a summation of formation energy and migration barrier energy, leading to the enhancement of diffusion of P atoms at low temperatures, which has been suggested by recent experimental studies.« less

Neutral-atom electron binding energies from relaxed-orbital relativistic Hartree-Fock-Slater calculations for Z between 2 and 106

NASA Technical Reports Server (NTRS)

Huang, K.-N.; Aoyagi, M.; Mark, H.; Chen, M. H.; Crasemann, B.

1976-01-01

Electron binding energies in neutral atoms have been calculated relativistically, with the requirement of complete relaxation. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all elements with atomic numbers ranging from 2 to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. Binding energies including relaxation are listed for all electrons in all atoms over the indicated range of atomic numbers. A self-energy correction is included for the 1s, 2s, and 2p(1/2) levels. Results for selected atoms are compared with energies calculated by other methods and with experimental values.

18 CFR 35.29 - Treatment of special assessments levied under the Atomic Energy Act of 1954, as amended by Title...

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10 CFR 8.4 - Interpretation by the General Counsel: AEC jurisdiction over nuclear facilities and materials...

Code of Federal Regulations, 2012 CFR

2012-01-01

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The reaction efficiency of thermal energy oxygen atoms with polymeric materials

NASA Technical Reports Server (NTRS)

Koontz, S. L.; Nordine, Paul

1990-01-01

The reaction efficiency of several polymeric materials with thermal-energy (0.04 eV translational energy), ground-state (O3P) oxygen atoms was determined by exposing the materials to a room temperature gas containing a known concentration of atomic oxygen. The reaction efficiency measurements were conducted in two flowing afterglow systems of different configuration. Atomic oxygen concentration measurements, flow, transport and surface dose analysis is presented in this paper. The measured reaction efficiencies of Kapton, Mylar, polyethylene, D4-polyethylene and Tedlar are .001 to .0001 those determined with high-energy ground-state oxygen atoms in low earth orbit or in a high-velocity atom beam. D4-polyethylene exhibits a large kinetic isotope effect with atomic oxygen at thermal but not hyperthermal atom energies.

Change of Energy of the Cubic Subnanocluster of Iron Under Influence of Interstitial and Substitutional Atoms.

PubMed

Nedolya, Anatoliy V; Bondarenko, Natalya V

2016-12-01

Energy change of an iron face-centred cubic subnanocluster was evaluated using molecular mechanics method depending on the position of a carbon interstitial atom and substitutional atoms of nickel. Calculations of all possible positions of impurity atoms show that the energy change of the system are discrete and at certain positions of the atoms are close to continuous.In terms of energy, when all impurity atoms are on the same edge of an atomic cluster, their positions are more advantageous. The presence of nickel atoms on the edge of a cubic cluster resulted in decrease of potential barrier for a carbon atom and decrease in energy in the whole cluster. A similar drift of a carbon atom from central octahedral interstitial site to the surface in the direction <011> occurred under the influence of surface factors.Such configuration corresponds to decreasing symmetry and increasing the number of possible energy states of a subnanocluster, and it corresponds to the condition of spontaneous crystallization process in an isolated system.Taking into account accidental positions of the nickel atom in the iron cluster, such behaviour of the carbon atom can explain the mechanism of growth of a new phase and formation of new clusters in the presence of other kind of atoms because of surface influence.

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The Atomic Energy Commission's Annual Report to Congress for 1960. Major Activities in the Atomic Energy Programs, January - December 1960

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCone, John A.

1961-01-31

The document covers activities for the period January - December 1960. The report consists of two parts: Part One, The Atomic Energy Industry in 1960 and Related Activities; and Part Two, Major Activities in Atomic Energy Programs. Twenty-one appendices are also included.

The Great Game redux: Energy security and the emergence of tripolarity in Eurasia

NASA Astrophysics Data System (ADS)

Ozdamar, Ibrahim Ozgur

Securing energy resources has become a key aspect of foreign policy-making since the 1970s. States have used military and economic foreign policy tools to secure the supply of energy to their domestic markets. With the fall of the USSR in 1991, political and economic competition for penetration into energy-rich regions spread through Eurasia. Inspired from the nineteenth century term to describe Russian-British rivalry in the region, the current rivalry among great powers and their allies is called the "New Great Game". This project analyzes three political conflicts that are shaped by such rivalry that can threaten global energy security. Empirical results from the expected utility model (Bueno de Mesquita 1985) suggest the rivalry among the Western (i.e. EU, US) and Eastern (i.e. Russia, China) powers about the Iranian nuclear program, Nagorno-Karabakh and South Ossetia conflicts is likely to continue and shows some Cold War characteristics. I have also found out the expected outcomes of these conflicts and foreign policy tools and obvious and unseen strategic moves available to actors. The major conclusion of the study is that the EU and US should pursue a coordinated foreign policy and balance the Russian and Chinese influence in the region to secure access to energy resources. Most effective foreign policy tools to achieve such aim appear to be the use of economic relations as leverage against Russia and China and support economic and democratic developments of the newly established republics in Eurasia.

Large disparity between gallium and antimony self-diffusion in gallium antimonide.

PubMed

Bracht, H; Nicols, S P; Walukiewicz, W; Silveira, J P; Briones, F; Haller, E E

2000-11-02

The most fundamental mass transport process in solids is self-diffusion. The motion of host-lattice ('self-') atoms in solids is mediated by point defects such as vacancies or interstitial atoms, whose formation and migration enthalpies determine the kinetics of this thermally activated process. Self-diffusion studies also contribute to the understanding of the diffusion of impurities, and a quantitative understanding of self- and foreign-atom diffusion in semiconductors is central to the development of advanced electronic devices. In the past few years, self-diffusion studies have been performed successfully with isotopically controlled semiconductor heterostructures of germanium, silicon, gallium arsenide and gallium phosphide. Self-diffusion studies with isotopically controlled GaAs and GaP have been restricted to Ga self-diffusion, as only Ga has two stable isotopes, 69Ga and 71Ga. Here we report self-diffusion studies with an isotopically controlled multilayer structure of crystalline GaSb. Two stable isotopes exist for both Ga and Sb, allowing the simultaneous study of diffusion on both sublattices. Our experiments show that near the melting temperature, Ga diffuses more rapidly than Sb by over three orders of magnitude. This surprisingly large difference in atomic mobility requires a physical explanation going beyond standard diffusion models. Combining our data for Ga and Sb diffusion with related results for foreign-atom diffusion in GaSb (refs 8, 9), we conclude that the unusually slow Sb diffusion in GaSb is a consequence of reactions between defects on the Ga and Sb sublattices, which suppress the defects that are required for Sb diffusion.

SELECTED ABSTRACTS OF ATOMIC ENERGY PROJECT UNCLASSIFIED REPORT LITERATURE IN THE FIELD OF RADIATION CHEMISTRY AND BIBLIOGRAPHY OF THE PUBLISHED LITERATURE--5TH ANNUAL SUPPLEMENT (PAPERS NOTED UP TO DECEMBER 1960)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clarke, R.W. comp.

1961-05-01

References (2538) are given to U. S. and foreign reports and published literature published from 1957 through 1961. The references contain information on theory, interpretations, water and aqueous inorganic systems, organic compounds (including polymerization reactions and organic coolants), gaseous systems (excluding organic compounds), solid systems (excluding organic compounds), biochemistry and radiobiology (excluding animal studies, including irradiation of foodstuffs, bacteria, and insects), and miscellaneous (including colloids, corrosion, industrial applications of radiation, irradiation equipment, and general reviews and reports). The report references are arranged alphabetically/serially by report reference number, and the open literature rcferences alphabetically by first named author. Separate author andmore » subject indexes are included. (P.C.H.)« less

Atomic Mass and Nuclear Binding Energy for U-287 (Uranium)

NASA Astrophysics Data System (ADS)

Sukhoruchkin, S. I.; Soroko, Z. N.

This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope U-287 (Uranium, atomic number Z = 92, mass number A = 287).

Atomic Mass and Nuclear Binding Energy for Ac-212 (Actinium)

NASA Astrophysics Data System (ADS)

Sukhoruchkin, S. I.; Soroko, Z. N.

This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Ac-212 (Actinium, atomic number Z = 89, mass number A = 212).

Fifth Semiannual Report of the Commission to the Congress: Atomic Energy Development, 1947- 1948

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lilienthal, David E.; Bacher, Robert F.; Pike, Sumner T.

1949-01-01

The document represents the fifth semiannual report to Congress, covering specifically the various developments in atomic energy since the inception of the Atomic Energy Commission in 1946. This fifth report represents an expansion of effort in all phases of atomic energy development and is prepared against a background of world affairs.

75 FR 41696 - Appliance Labeling Rule

Federal Register 2010, 2011, 2012, 2013, 2014

2010-07-19

... (foreign language disclosures in advertising); 16 CFR 308.3(a)(1) (foreign language disclosures under Pay... advertising terms such as ``energy savings'' or ``energy efficient'' as suggested by CEE. The FTC declines to permanently fix the meanings of these terms. Under FTC law, advertising terms have the meaning that reasonable...

10 CFR 1050.401 - Prohibition against use of appropriated funds.

Code of Federal Regulations, 2010 CFR

2010-01-01

... State may be used to purchase any tangible gift of more than minimal value for any foreign individual unless such gift has been approved by the Congress. [59 FR 44896, Aug. 31, 1994] ... Section 1050.401 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) FOREIGN GIFTS AND DECORATIONS Gifts to...

Work on the physics of ultracold atoms in Russia

NASA Astrophysics Data System (ADS)

Kolachevsky, N. N.; Taichenachev, A. V.

2018-05-01

In December 2017, the regular All-Russian Conference 'Physics of Ultracold Atoms' was held. Several tens of Russian scientists from major scientific centres of the country, as well as a number of leading foreign scientists took part in the Conference. The Conference topics covered a wide range of urgent problems: quantum metrology, quantum gases, waves of matter, spectroscopy, quantum computing, and laser cooling. This issue of Quantum Electronics publishes the papers reported at the conference and selected for the Journal by the Organising committee.

How large are nonadiabatic effects in atomic and diatomic systems?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Yubo, E-mail: yyang173@illinois.edu, E-mail: normantubman2015@u.northwestern.edu; Tubman, Norm M., E-mail: yyang173@illinois.edu, E-mail: normantubman2015@u.northwestern.edu; Ceperley, David M.

2015-09-28

With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. In this work, we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose, we utilize the fixed-node diffusion Monte Carlo method, in which the nodes depend on both the electronic and ionic positions. We report ground-state energies for all systems studied, ionization energies for the first-row atoms and atomization energies for the first-row hydrides. We find the ionization energies of the atoms to bemore » nearly independent of the Born-Oppenheimer approximation, within the accuracy of our results. The atomization energies of molecular systems, however, show small effects of the nonadiabatic coupling between electrons and nuclei.« less

How large are nonadiabatic effects in atomic and diatomic systems?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Yubo; Kylänpää, Ilkka; Tubman, Norm M.

2015-09-29

With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. Here, we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose, we utilize the fixed-node diffusion Monte Carlo method, in which the nodes depend on both the electronic and ionic positions. Our report shows the ground-state energies for all systems studied, ionization energies for the first-row atoms and atomization energies for the first-row hydrides. We find the ionization energies of the atoms to bemore » nearly independent of the Born-Oppenheimer approximation, within the accuracy of our results. The atomization energies of molecular systems, however, show small effects of the nonadiabatic coupling between electrons and nuclei.« less

28 CFR 13.3 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.3 Definitions. Atomic energy means all forms of energy released in the course of nuclear fission or nuclear transformation. Atomic weapon means any device utilizing atomic energy, exclusive of the means for transporting...

28 CFR 13.3 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.3 Definitions. Atomic energy means all forms of energy released in the course of nuclear fission or nuclear transformation. Atomic weapon means any device utilizing atomic energy, exclusive of the means for transporting...

28 CFR 13.3 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.3 Definitions. Atomic energy means all forms of energy released in the course of nuclear fission or nuclear transformation. Atomic weapon means any device utilizing atomic energy, exclusive of the means for transporting...

28 CFR 13.3 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.3 Definitions. Atomic energy means all forms of energy released in the course of nuclear fission or nuclear transformation. Atomic weapon means any device utilizing atomic energy, exclusive of the means for transporting...

28 CFR 13.3 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.3 Definitions. Atomic energy means all forms of energy released in the course of nuclear fission or nuclear transformation. Atomic weapon means any device utilizing atomic energy, exclusive of the means for transporting...

26 CFR 1.164-8 - Payments for municipal services in atomic energy communities.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 26 Internal Revenue 2 2013-04-01 2013-04-01 false Payments for municipal services in atomic energy... Corporations § 1.164-8 Payments for municipal services in atomic energy communities. (a) General. For taxable... any community (as defined in section 21b of the Atomic Energy Community Act of 1955 (42 U.S.C. 2304...

26 CFR 1.164-8 - Payments for municipal services in atomic energy communities.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 26 Internal Revenue 2 2010-04-01 2010-04-01 false Payments for municipal services in atomic energy... Corporations § 1.164-8 Payments for municipal services in atomic energy communities. (a) General. For taxable... any community (as defined in section 21b of the Atomic Energy Community Act of 1955 (42 U.S.C. 2304...

26 CFR 1.164-8 - Payments for municipal services in atomic energy communities.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 26 Internal Revenue 2 2011-04-01 2011-04-01 false Payments for municipal services in atomic energy... Corporations § 1.164-8 Payments for municipal services in atomic energy communities. (a) General. For taxable... any community (as defined in section 21b of the Atomic Energy Community Act of 1955 (42 U.S.C. 2304...

26 CFR 1.164-8 - Payments for municipal services in atomic energy communities.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 26 Internal Revenue 2 2012-04-01 2012-04-01 false Payments for municipal services in atomic energy... Corporations § 1.164-8 Payments for municipal services in atomic energy communities. (a) General. For taxable... any community (as defined in section 21b of the Atomic Energy Community Act of 1955 (42 U.S.C. 2304...

26 CFR 1.164-8 - Payments for municipal services in atomic energy communities.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 26 Internal Revenue 2 2014-04-01 2014-04-01 false Payments for municipal services in atomic energy... Corporations § 1.164-8 Payments for municipal services in atomic energy communities. (a) General. For taxable... any community (as defined in section 21b of the Atomic Energy Community Act of 1955 (42 U.S.C. 2304...

A sputtering derived atomic oxygen source for studying fast atom reactions

NASA Technical Reports Server (NTRS)

Ferrieri, Richard A.; Yung, Y. Chu; Wolf, Alfred P.

1987-01-01

A technique for the generation of fast atomic oxygen was developed. These atoms are created by ion beam sputtering from metal oxide surfaces. Mass resolved ion beams at energies up to 60 KeV are produced for this purpose using a 150 cm isotope separator. Studies have shown that particles sputtered with 40 KeV Ar(+) on Ta2O5 were dominantly neutral and exclusively atomic. The atomic oxygen also resided exclusively in its 3P ground state. The translational energy distribution for these atoms peaked at ca 7 eV (the metal-oxygen bond energy). Additional measurements on V2O5 yielded a bimodal distribution with the lower energy peak at ca 5 eV coinciding reasonably well with the metal-oxygen bond energy. The 7 eV source was used to investigate fast oxygen atom reactions with the 2-butene stereoisomers. Relative excitation functions for H-abstraction and pi-bond reaction were measured with trans-2-butene. The abstraction channel, although of minor relative importance at thermal energy, becomes comparable to the addition channel at 0.9 eV and dominates the high-energy regime. Structural effects on the specific channels were also found to be important at high energy.

Prospects for foreign applications of wind-energy systems, preliminary report in response to Public Law 96-345

NASA Astrophysics Data System (ADS)

1981-11-01

Potential foreign applications were identified. Specific systems which would most closely match the applications requirements from a list of representative U.S. wind energy systems. The energy situation of each of 155 countries and 29 territories was reviewed. Wind resources availability for each country was assessed from existing data sources. The export potential was determined by analyzing a country's applications requirements, cost of alternative energy, financial condition, interest in the development of renewable energy technologies, and level of indigenous competition.

Transactions of the Chinese Solar Energy Society (Selected Articles),

DTIC Science & Technology

1983-08-04

iDAld- 870 TRANSACTIONS OF THE CHINESE SOLAR ENERGY SOCIETY i/i ’A1 (SELECTED ARTICLES)<U) FOREIGN TECHNOLOGY DIV I WRIGHT-PRTTERSON RF8 OH 7 SUN ET...34 . -.-. - - - - , " ’ ’-. . .. .. ...- " . ’ " FTD-ID(RS)T-1067-83 10 00 FOREIGN TECHNOLOGY DIVISION TRANSACTIONS OF THE CHINESE SOLAR ENERGY SOCIETY (Selected Articles...l067-83 4 August 1983 MICROFICHE NR: FTD-83-C-000960 TRANSACTIONS OF THE CHINESE SOLAR ENERGY SOCIETYI(Selected Articles) English pages: 16 Source: Acta

15 CFR 700.2 - Introduction.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 15 Commerce and Foreign Trade 2 2010-01-01 2010-01-01 false Introduction. 700.2 Section 700.2 Commerce and Foreign Trade Regulations Relating to Commerce and Foreign Trade (Continued) BUREAU OF... PRIORITIES AND ALLOCATIONS SYSTEM Overview § 700.2 Introduction. (a) Certain national defense and energy...

Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111).

PubMed

Kroes, Geert-Jan; Pavanello, Michele; Blanco-Rey, María; Alducin, Maite; Auerbach, Daniel J

2014-08-07

Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of the incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction ("EF") model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated "post" ("p") the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy loss in the range 0.2-0.3 eV due to ehp excitation, which should be possible to observe. The average non-adiabatic energy losses for non-penetrative scattering exceed the adiabatic losses to phonons by 0.9-1.0 eV. This suggests that for scattering of hyperthermal H-atoms from coinage metals the dominant energy dissipation channel should be to ehp excitation. These predictions can be tested by experiments that combine techniques for generating H-atom beams that are well resolved in translational energy and for detecting the scattered atoms with high energy-resolution.

Fueling the dragon: Alternative Chinese oil futures and their implications for the United States

NASA Astrophysics Data System (ADS)

Eberling, George G.

This study examines how Chinese oil energy will likely shape future Sino-American relations under conditions of dependency and non-dependency. The study will list and describe three possible Chinese oil energy futures or scenarios (Competitive Dependency, Competitive Surplus and Cooperative Surplus) using Scenario Analysis to subsequently estimate their associated likelihoods using the PRINCE forecasting system and discuss and evaluate their strategic implications for the United States. Further, this study will determine the most likely oil energy future or scenario. Finally, the study will list and describe the most likely United States political, economic and/or military policy responses for each future or scenario. The study contributes to the literature on Chinese and United States energy security, foreign policy, political economy and political risk analysis by showing how China will most likely address its growing oil energy dependence and by determining what will be the most likely U.S. foreign policy consequences based on the most current literature available on energy security and foreign policy.

10 CFR 780.50 - Applicants.

Code of Federal Regulations, 2011 CFR

2011-01-01

... the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of 1954 and... useful in the production or utilization of special nuclear material or atomic energy, has complied with...

10 CFR 780.50 - Applicants.

Code of Federal Regulations, 2013 CFR

2013-01-01

... the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of 1954 and... useful in the production or utilization of special nuclear material or atomic energy, has complied with...

10 CFR 780.50 - Applicants.

Code of Federal Regulations, 2010 CFR

2010-01-01

... the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of 1954 and... useful in the production or utilization of special nuclear material or atomic energy, has complied with...

10 CFR 780.50 - Applicants.

Code of Federal Regulations, 2012 CFR

2012-01-01

... the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of 1954 and... useful in the production or utilization of special nuclear material or atomic energy, has complied with...

10 CFR 780.50 - Applicants.

Code of Federal Regulations, 2014 CFR

2014-01-01

... the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of 1954 and... useful in the production or utilization of special nuclear material or atomic energy, has complied with...

Collisional perturbation of radio-frequency E1 transitions in an atomic beam of dysprosium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cingoez, A.; Lapierre, Alain; Nguyen, A.-T.

2005-12-15

We have studied collisional perturbations of radio-frequency (rf) electric-dipole (E1) transitions between the nearly degenerate opposite-parity levels in atomic dysprosium (Dy) in the presence of 10 to 80 {mu}Torr of H{sub 2}, N{sub 2}, He, Ar, Ne, Kr, and Xe. Collisional broadening and shift of the resonance, as well as the attenuation of the signal amplitude are observed to be proportional to the foreign-gas density with the exception of H{sub 2} and Ne, for which no shifts were observed. Corresponding rates and cross sections are presented. In addition, rates and cross sections for O{sub 2} are extracted from measurements usingmore » air as foreign gas. The primary motivation for this study is the need for accurate determination of the shift rates, which are needed in a laboratory search for the temporal variation of the fine-structure constant [A. T. Nguyen, D. Budker, S. K. Lamoreaux, and J. R. Torgerson, Phys. Rev. A 69, 22105 (2004)].« less

Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation.

PubMed

Irwin, Benedict W J; Huggins, David J

2018-06-12

We present a general method called atom-wise free energy perturbation (AFEP), which extends a conventional molecular dynamics free energy perturbation (FEP) simulation to give the contribution to a free energy change from each atom. AFEP is derived from an expansion of the Zwanzig equation used in the exponential averaging method by defining that the system total energy can be partitioned into contributions from each atom. A partitioning method is assumed and used to group terms in the expansion to correspond to individual atoms. AFEP is applied to six example free energy changes to demonstrate the method. Firstly, the hydration free energies of methane, methanol, methylamine, methanethiol, and caffeine in water. AFEP highlights the atoms in the molecules that interact favorably or unfavorably with water. Finally AFEP is applied to the binding free energy of human immunodeficiency virus type 1 protease to lopinavir, and AFEP reveals the contribution of each atom to the binding free energy, indicating candidate areas of the molecule to improve to produce a more strongly binding inhibitor. FEP gives a single value for the free energy change and is already a very useful method. AFEP gives a free energy change for each "part" of the system being simulated, where part can mean individual atoms, chemical groups, amino acids, or larger partitions depending on what the user is trying to measure. This method should have various applications in molecular dynamics studies of physical, chemical, or biochemical phenomena, specifically in the field of computational drug discovery.

Internal Energy Transfer and Dissociation Model Development using Accelerated First-Principles Simulations of Hypersonic Flow Features

DTIC Science & Technology

2013-07-11

in Fig. 3) is simulated. Each atom interacts with its neighboring atoms through a potential energy surface (PES), such as the simple Lennard - Jones ... Lennard -­‐ Jones  (LJ)   potential  energy  surface  (PES)  dictating  atomic  interaction  forces. The main point of this section is to...the potential energy surface (PES) that governs individual atomic interaction forces. In contrast to existing rotational energy models, we found

Twenty-third Semiannual Report of the Commission to the Congress, January 1958. Progress in peaceful uses of atomic energy July - December 1957

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strauss, Lewis L.

1958-01-31

The document represents the twenty-third semiannual Atomic Energy Commission (AEC) report to Congress. The report sums up the major activities and developments in the national atomic energy program covering the period July - December 1957. A special part one of this semiannual report is titled ''Progress in the Peaceful Uses of Atomic Energy - A 3-year Summary.

Spectra of helium clusters with up to six atoms using soft-core potentials

NASA Astrophysics Data System (ADS)

Gattobigio, M.; Kievsky, A.; Viviani, M.

2011-11-01

In this paper, we investigate small clusters of helium atoms using the hyperspherical harmonic basis. We consider systems with A=2,3,4,5,6 atoms with an interparticle potential which does not present a strong repulsion at short distances. We use an attractive Gaussian potential that reproduces the values of the dimer binding energy, the atom-atom scattering length, and the effective range obtained with one of the widely used He-He interactions, the Aziz and Slaman potential, called LM2M2. In systems with more than two atoms, we consider a repulsive three-body force that, by construction, reproduces the trimer binding energy of the LM2M2 potential. With this model, consisting of the sum of a two- and three-body potential, we have calculated the spectrum of clusters formed by four, five, and six helium atoms. We have found that these systems present two bound states, one deep and one shallow, close to the threshold fixed by the energy of the (A-1)-atom system. Universal relations between the energies of the excited state of the A-atom system and the ground-state energy of the (A-1)-atom system are extracted, as well as the ratio between the ground state of the A-atom system and the ground-state energy of the trimer.

The Videocassette Challenge: Strategies for the Foreign Language Teacher.

ERIC Educational Resources Information Center

Mount, Richard Terry; And Others

Foreign language teachers can tap the appeal of video successfully and enjoyably in the foreign language classroom. Potential difficulties include length of feature films and difficulty in understanding the language and story simultaneously. The instructor must select materials and equipment carefully and commit considerable time and energy to…

15 CFR 700.21 - Application for priority rating authority.

Code of Federal Regulations, 2012 CFR

2012-01-01

... allocations authorities. (e) Commerce will inform the Department of Energy of the results of its analysis. If... 15 Commerce and Foreign Trade 2 2012-01-01 2012-01-01 false Application for priority rating authority. 700.21 Section 700.21 Commerce and Foreign Trade Regulations Relating to Commerce and Foreign...

15 CFR 700.21 - Application for priority rating authority.

Code of Federal Regulations, 2010 CFR

2010-01-01

... allocations authorities. (e) Commerce will inform the Department of Energy of the results of its analysis. If... 15 Commerce and Foreign Trade 2 2010-01-01 2010-01-01 false Application for priority rating authority. 700.21 Section 700.21 Commerce and Foreign Trade Regulations Relating to Commerce and Foreign...

15 CFR 700.21 - Application for priority rating authority.

Code of Federal Regulations, 2014 CFR

2014-01-01

... allocations authorities. (e) Commerce will inform the Department of Energy of the results of its analysis. If... 15 Commerce and Foreign Trade 2 2014-01-01 2014-01-01 false Application for priority rating authority. 700.21 Section 700.21 Commerce and Foreign Trade Regulations Relating to Commerce and Foreign...

15 CFR 700.21 - Application for priority rating authority.

Code of Federal Regulations, 2011 CFR

2011-01-01

... allocations authorities. (e) Commerce will inform the Department of Energy of the results of its analysis. If... 15 Commerce and Foreign Trade 2 2011-01-01 2011-01-01 false Application for priority rating authority. 700.21 Section 700.21 Commerce and Foreign Trade Regulations Relating to Commerce and Foreign...

15 CFR 700.21 - Application for priority rating authority.

Code of Federal Regulations, 2013 CFR

2013-01-01

... allocations authorities. (e) Commerce will inform the Department of Energy of the results of its analysis. If... 15 Commerce and Foreign Trade 2 2013-01-01 2013-01-01 false Application for priority rating authority. 700.21 Section 700.21 Commerce and Foreign Trade Regulations Relating to Commerce and Foreign...

Ground Levels and Ionization Energies for the Neutral Atoms

National Institute of Standards and Technology Data Gateway

SRD 111 Ground Levels and Ionization Energies for the Neutral Atoms (Web, free access)   Data for ground state electron configurations and ionization energies for the neutral atoms (Z = 1-104) including references.

Interaction between single gold atom and the graphene edge: A study via aberration-corrected transmission electron microscopy

NASA Astrophysics Data System (ADS)

Wang, Hongtao; Li, Kun; Cheng, Yingchun; Wang, Qingxiao; Yao, Yingbang; Schwingenschlögl, Udo; Zhang, Xixiang; Yang, Wei

2012-04-01

Interaction between single noble metal atoms and graphene edges has been investigated via aberration-corrected and monochromated transmission electron microscopy. A collective motion of the Au atom and the nearby carbon atoms is observed in transition between energy-favorable configurations. Most trapping and detrapping processes are assisted by the dangling carbon atoms, which are more susceptible to knock-on displacements by electron irradiation. Thermal energy is lower than the activation barriers in transition among different energy-favorable configurations, which suggests electron-beam irradiation can be an efficient way of engineering the graphene edge with metal atoms.Interaction between single noble metal atoms and graphene edges has been investigated via aberration-corrected and monochromated transmission electron microscopy. A collective motion of the Au atom and the nearby carbon atoms is observed in transition between energy-favorable configurations. Most trapping and detrapping processes are assisted by the dangling carbon atoms, which are more susceptible to knock-on displacements by electron irradiation. Thermal energy is lower than the activation barriers in transition among different energy-favorable configurations, which suggests electron-beam irradiation can be an efficient way of engineering the graphene edge with metal atoms. Electronic supplementary information (ESI) available: Additional Figures for characterization of mono-layer CVD graphene samples with free edges and Pt atoms decorations and analysis of the effect of electron irradiation; supporting movie on edge evolution. See DOI: 10.1039/c2nr00059h

Computational analysis of hydrogenated graphyne folding

NASA Astrophysics Data System (ADS)

Lenear, Christopher; Becton, Matthew; Wang, Xianqiao

2016-02-01

This letter employs molecular mechanics simulations to analyze the geometric changes of foreign-atom-doped graphyne. Simulation results show that higher the density of dopant and the greater area covered by the dopant correlates to a greater folding angle of the graphyne sheet. Compared to graphene, graphyne folding could prove to be more effective for various nanodevices based on its unique band gap, especially when doped, and its tunable interactions with and absorption of foreign molecules. Therefore, our findings may offer unique perspectives into the development of novel graphyne-based nanodevices and stimulate the community's research interest in graphene-related origami.

A History of the Atomic Energy Commission

DOE R&D Accomplishments Database

Buck, Alice L.

1983-07-01

This pamphlet traces the history of the US Atomic Energy Commission's twenty-eight year stewardship of the Nation's nuclear energy program, from the signing of the Atomic Energy Act on August 1, 1946 to the signing of the Energy Reorganization Act on October 11, 1974. The Commission's early concentration on the military atom produced sophisticated nuclear weapons for the Nation's defense and made possible the creation of a fleet of nuclear submarines and surface ships. Extensive research in the nuclear sciences resulted in the widespread application of nuclear technology for scientific, medical and industrial purposes, while the passage of the Atomic Energy Act of 1954 made possible the development of a nuclear industry, and enabled the United States to share the new technology with other nations.

3 CFR - Delegation of Certain Functions Under Section 104(g) of the United States-India Peaceful Atomic...

Code of Federal Regulations, 2011 CFR

2011-01-01

...) of the United States-India Peaceful Atomic Energy Cooperation Act of 2006, as Amended by Public Law... Certain Functions Under Section 104(g) of the United States-India Peaceful Atomic Energy Cooperation Act... President by section 104(g) of the United States-India Peaceful Atomic Energy Cooperation Act of 2006...

International energy outlook 1996

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1996-05-01

This International Energy Outlook presents historical data from 1970 to 1993 and EIA`s projections of energy consumption and carbon emissions through 2015 for 6 country groups. Prospects for individual fuels are discussed. Summary tables of the IEO96 world energy consumption, oil production, and carbon emissions projections are provided in Appendix A. The reference case projections of total foreign energy consumption and of natural gas, coal, and renewable energy were prepared using EIA`s World Energy Projection System (WEPS) model. Reference case projections of foreign oil production and consumption were prepared using the International Energy Module of the National Energy Modeling Systemmore » (NEMS). Nuclear consumption projections were derived from the International Nuclear Model, PC Version (PC-INM). Alternatively, nuclear capacity projections were developed using two methods: the lower reference case projections were based on analysts` knowledge of the nuclear programs in different countries; the upper reference case was generated by the World Integrated Nuclear Evaluation System (WINES)--a demand-driven model. In addition, the NEMS Coal Export Submodule (CES) was used to derive flows in international coal trade. As noted above, foreign projections of electricity demand are now projected as part of the WEPS. 64 figs., 62 tabs.« less

Department of Energy: Office of Scientific and Technical Information

NASA Technical Reports Server (NTRS)

Grissom, Catherine

1994-01-01

The international acquisitions functions and activities of the Office of Scientific and Technical Information (OSTI) are described. There are four mechanisms for obtaining foreign information related to energy and nuclear science: The Energy Technology Data Exchange consisting of 14 member countries and 2 associate members; the International Nuclear Information System consisting of 86 countries and 17 international organizations; the Nuclear Energy Agency's 19 member countries provide reports for departmental scientists' use; bilateral agreements with countries such as Germany, the Nordic Consortium, and Australia result in records of foreign research in progress.

Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kroes, Geert-Jan, E-mail: g.j.kroes@chem.leidenuniv.nl; Pavanello, Michele; Blanco-Rey, María

2014-08-07

Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of themore » incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction (“EF”) model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated “post” (“p”) the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy loss in the range 0.2-0.3 eV due to ehp excitation, which should be possible to observe. The average non-adiabatic energy losses for non-penetrative scattering exceed the adiabatic losses to phonons by 0.9-1.0 eV. This suggests that for scattering of hyperthermal H-atoms from coinage metals the dominant energy dissipation channel should be to ehp excitation. These predictions can be tested by experiments that combine techniques for generating H-atom beams that are well resolved in translational energy and for detecting the scattered atoms with high energy-resolution.« less

Energy Scaling of Cold Atom-Atom-Ion Three-Body Recombination

NASA Astrophysics Data System (ADS)

Krükow, Artjom; Mohammadi, Amir; Härter, Arne; Denschlag, Johannes Hecker; Pérez-Ríos, Jesús; Greene, Chris H.

2016-05-01

We study three-body recombination of Ba++Rb +Rb in the mK regime where a single 138Ba+ ion in a Paul trap is immersed into a cloud of ultracold 87Rb atoms. We measure the energy dependence of the three-body rate coefficient k3 and compare the results to the theoretical prediction, k3∝Ecol-3 /4, where Ecol is the collision energy. We find agreement if we assume that the nonthermal ion energy distribution is determined by at least two different micromotion induced energy scales. Furthermore, using classical trajectory calculations we predict how the median binding energy of the formed molecules scales with the collision energy. Our studies give new insights into the kinetics of an ion immersed in an ultracold atom cloud and yield important prospects for atom-ion experiments targeting the s -wave regime.

The Atomic Energy Commission's Annual Report to Congress for 1962. Major Activities in the Atomic Energy Programs, January - December 1962

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seaborg, Glenn T.

1963-01-31

The document represents the 1962 Annual Report of the Atomic Energy Commission (AEC) to Congress. This year's report opens with a section of Highlights of the Atomic Energy Programs of 1962, followed by five parts: Part One, Commission Activities; Part Two, Nuclear Reactor Programs; Part Three, Production and Weapons Programs; Part Four, Other Major Programs; and Part Five, The Regulatory Program. Sixteen appendices are also included.

75 FR 6070 - Notice of Public Meeting on the International Atomic Energy Agency Basic Safety Standards Version...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-05

... Energy Agency Basic Safety Standards Version 3.0, Draft Safety Requirements DS379 AGENCY: Nuclear Regulatory Commission. ACTION: Notice of Public Meeting on the International Atomic Energy Agency Basic... development of U.S. Government comments on this International Atomic Energy Agency (IAEA) draft General Safety...

College Chemistry Students' Understanding of Potential Energy in the Context of Atomic-Molecular Interactions

ERIC Educational Resources Information Center

Becker, Nicole M.; Cooper, Melanie M.

2014-01-01

Understanding the energy changes that occur as atoms and molecules interact forms the foundation for understanding the macroscopic energy changes that accompany chemical processes. In order to identify ways to scaffold students' understanding of the connections between atomic-molecular and macroscopic energy perspectives, we conducted a…

An accurate full-dimensional potential energy surface for H-Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption.

PubMed

Janke, Svenja M; Auerbach, Daniel J; Wodtke, Alec M; Kandratsenka, Alexander

2015-09-28

We have constructed a potential energy surface (PES) for H-atoms interacting with fcc Au(111) based on fitting the analytic form of the energy from Effective Medium Theory (EMT) to ab initio energy values calculated with density functional theory. The fit used input from configurations of the H-Au system with Au atoms at their lattice positions as well as configurations with the Au atoms displaced from their lattice positions. It reproduces the energy, in full dimension, not only for the configurations used as input but also for a large number of additional configurations derived from ab initio molecular dynamics (AIMD) trajectories at finite temperature. Adiabatic molecular dynamics simulations on this PES reproduce the energy loss behavior of AIMD. EMT also provides expressions for the embedding electron density, which enabled us to develop a self-consistent approach to simulate nonadiabatic electron-hole pair excitation and their effect on the motion of the incident H-atoms. For H atoms with an energy of 2.7 eV colliding with Au, electron-hole pair excitation is by far the most important energy loss pathway, giving an average energy loss ≈3 times that of the adiabatic case. This increased energy loss enhances the probability of the H-atom remaining on or in the Au slab by a factor of 2. The most likely outcome for H-atoms that are not scattered also depends prodigiously on the energy transfer mechanism; for the nonadiabatic case, more than 50% of the H-atoms which do not scatter are adsorbed on the surface, while for the adiabatic case more than 50% pass entirely through the 4 layer simulation slab.

75 FR 24755 - DTE ENERGY; Enrico Fermi Atomic Power Plant Unit 1; Exemption From Certain Low-Level Waste...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-05

... NUCLEAR REGULATORY COMMISSION [Docket No. 50-16; NRC-2009-0073] DTE ENERGY; Enrico Fermi Atomic... License No. DPR-9 issued for Enrico Fermi Atomic Power Plant, Unit 1 (Fermi-1), located in Monroe County... undue hazard to life or property. There are no provisions in the Atomic Energy Act (or in any other...

77 FR 51832 - Atomic Safety and Licensing Board; In the Matter of Progress Energy Florida, Inc. (Levy County...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-27

...] Atomic Safety and Licensing Board; In the Matter of Progress Energy Florida, Inc. (Levy County Nuclear.... Anthony J. Baratta and Dr. Randall J. Charbeneau Notice of Hearing This Atomic Safety and Licensing Board... the authority of the Atomic Energy Act, 42 U.S.C. 2231, 2239, and 2241. It will be conducted pursuant...

Understanding Atomic Structure: Is There a More Direct and Compelling Connection between Atomic Line Spectra and the Quantization of an Atom's Energy?

ERIC Educational Resources Information Center

Rittenhouse, Robert C.

2015-01-01

The "atoms first" philosophy, adopted by a growing number of General Chemistry textbook authors, places greater emphasis on atomic structure as a key to a deeper understanding of the field of chemistry. A pivotal concept needed to understand the behavior of atoms is the restriction of an atom's energy to specific allowed values. However,…

Foreign Direct Investment and Energy Supply in the Middle East and North Africa: A Correlational Study

NASA Astrophysics Data System (ADS)

Elghali, Siddig

Middle East and North Africa countries have been criticized for failing to utilize foreign direct investment energy resources efficiently. The changing of energy resources environment of the past decades with its growing emphasis on the importance of imminent energy supply challenges require strategists to consider different types of energy resources investment to improve energy supply. One type of energy investment will show effectiveness and efficiency in utilizing foreign direct investment in exposing RE, fossil fuels, natural gas, and reducing CO2 emissions. The purpose of this quantitative correlational study was to utilize foreign direct investment to predict total primary energy supply in the Middle East and North Africa region between 1971 and 2013. The study was conducted using a sample size of 43 years of energy supply resources and foreign direct investment from 1971 to 2013, which includes all of the years for which FDI is available. RE potential may equip Middle East and North Africa countries with sustainable and clean electricity for centuries to come, as non-renewable energy resources may not meet the demands globally and domestically or environmentally. As demands for fossil fuels grow, carbon emissions will increase. RE may be a better option of CO 2 emissions sequestration and will increase electricity to rural areas without government subsidies and complex decision-making policies. RE infrastructure will reduce water desalinization costs, cooling systems, and be useful in heating. Establishing concentrated solar power may be useful for the region cooperation, negotiations, and integration to share this energy. The alternative sought to fossil fuels was nuclear power. However, nuclear power depends on depleting, non-renewable uranium resources. The cost of uranium will increase if widely used and the presence of a nuclear plant in an unstable region is unsafe. Thus, renewable energy as a long-term option is efficient. A nonlinear regression analysis performed to test the foreign direct investment and energy supply predictor variables with the control variables relate to renewable energy resources, fossil fuels, natural gas, nuclear energy, and CO2 emissions. FDI to predict the total primary energy supply in the MENA region between 1971 and 2013. The predictor variable was FDI evaluated for all years between 1971 and 2013. The criterion variables were total primary energy supply from four distinct sources: fossil fuels (including crude oil, natural gas liquid, and refinery feedstocks); natural gas; renewables and waste; and electricity. The results of the nonlinear regression supported FDI inflow was significantly predictive of the total primary energy supply in the Middle East between 1971 and 2013. A future quantitative study could examine FDI and Energy Supply in the MENA for strategic energy and investment policies indicators. Significant prediction between FDI and energy supply should serve as a red flag to researchers and cause them to research further. The study outlines steps that could be followed in making a determination whether selected FDI were consistent with energy data, which would then suggest the need for further FDI and energy supply investigation.

Production mechanism of atomic nitrogen in atmospheric pressure pulsed corona discharge measured using two-photon absorption laser-induced fluorescence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teramoto, Yoshiyuki; Ono, Ryo; Oda, Tetsuji

To study the production mechanism of atomic nitrogen, the temporal profile and spatial distribution of atomic nitrogen are measured in atmospheric pressure pulsed positive corona discharge using two-photon absorption laser-induced fluorescence. The absolute atomic nitrogen density in the streamer filaments is estimated from decay rate of atomic nitrogen in N{sub 2} discharge. The results indicate that the absolute atomic nitrogen density is approximately constant against discharge energy. When the discharge voltage is 21.5 kV, production yield of atomic nitrogen produced by an N{sub 2} discharge pulse is estimated to be 2.9 - 9.8 Multiplication-Sign 10{sup 13} atoms and the energymore » efficiency of atomic nitrogen production is estimated to be about 1.8 - 6.1 Multiplication-Sign 10{sup 16} atoms/J. The energy efficiency of atomic nitrogen production in N{sub 2} discharge is constant against the discharge energy, while that in N{sub 2}/O{sub 2} discharge increases with discharge energy. In the N{sub 2}/O{sub 2} discharge, two-step process of N{sub 2} dissociation plays significant role for atomic nitrogen production.« less

Assessing the Sustainability of Japan's Foreign Aid Program: An Analysis of Development Assistance to Energy Sectors of Developing Countries

ERIC Educational Resources Information Center

Yamaguchi, Hideka

2005-01-01

This article examines the effect of Japan's official development assistance (ODA) over 10 years that proposed to facilitate environmental conservation in developing countries. Special emphasis is given to ODA disbursements in the energy sector to evaluate whether Japan's foreign aid has shifted its policy toward more environmentally sound goals.…

Strategy for designing stable and powerful nitrogen-rich high-energy materials by introducing boron atoms.

PubMed

Wu, Wen-Jie; Chi, Wei-Jie; Li, Quan-Song; Li, Ze-Sheng

2017-06-01

One of the most important aims in the development of high-energy materials is to improve their stability and thus ensure that they are safe to manufacture and transport. In this work, we theoretically investigated open-chain N 4 B 2 isomers using density functional theory in order to find the best way of stabilizing nitrogen-rich molecules. The results show that the boron atoms in these isomers are aligned linearly with their neighboring atoms, which facilitates close packing in the crystals of these materials. Upon comparing the energies of nine N 4 B 2 isomers, we found that the structure with alternating N and B atoms had the lowest energy. Structures with more than one nitrogen atom between two boron atoms had higher energies. The energy of N 4 B 2 increases by about 50 kcal/mol each time it is rearranged to include an extra nitrogen atom between the two boron atoms. More importantly, our results also show that boron atoms stabilize nitrogen-rich molecules more efficiently than carbon atoms do. Also, the combustion of any isomer of N 4 B 2 releases more heat than the corresponding isomer of N 4 C 2 does under well-oxygenated conditions. Our study suggests that the three most stable N 4 B 2 isomers (BN13, BN24, and BN34) are good candidates for high-energy molecules, and it outlines a new strategy for designing stable boron-containing high-energy materials. Graphical abstract The structural characteristics, thermodynamic stabilities, and exothermic properties of nitrogen-rich N 4 B 2 isomers were investigated by means of density functional theory.

10 CFR 8.1 - Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General Counsel.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 1 2012-01-01 2012-01-01 false Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General Counsel. 8.1 Section 8.1 Energy NUCLEAR REGULATORY COMMISSION INTERPRETATIONS § 8.1 Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General...

10 CFR 8.1 - Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General Counsel.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General Counsel. 8.1 Section 8.1 Energy NUCLEAR REGULATORY COMMISSION INTERPRETATIONS § 8.1 Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General...

10 CFR 8.1 - Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General Counsel.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General Counsel. 8.1 Section 8.1 Energy NUCLEAR REGULATORY COMMISSION INTERPRETATIONS § 8.1 Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General...

Developing a Nuclear Global Health Workforce Amid the Increasing Threat of a Nuclear Crisis.

PubMed

Burkle, Frederick M; Dallas, Cham E

2016-02-01

This study argues that any nuclear weapon exchange or major nuclear plant meltdown, in the categories of human systems failure and conflict-based crises, will immediately provoke an unprecedented public health emergency of international concern. Notwithstanding nuclear triage and management plans and technical monitoring standards within the International Atomic Energy Agency and the World Health Organization (WHO), the capacity to rapidly deploy a robust professional workforce with the internal coordination and collaboration capabilities required for large-scale nuclear crises is profoundly lacking. A similar dilemma, evident in the early stages of the Ebola epidemic, was eventually managed by using worldwide infectious disease experts from the Global Outbreak Alert and Response Network and multiple multidisciplinary WHO-supported foreign medical teams. This success has led the WHO to propose the development of a Global Health Workforce. A strategic format is proposed for nuclear preparedness and response that builds and expands on the current model for infectious disease outbreak currently under consideration. This study proposes the inclusion of a nuclear global health workforce under the technical expertise of the International Atomic Energy Agency and WHO's Radiation Emergency Medical Preparedness and Assistance Network leadership and supported by the International Health Regulations Treaty. Rationales are set forth for the development, structure, and function of a nuclear workforce based on health outcomes research that define the unique health, health systems, and public health challenges of a nuclear crisis. Recent research supports that life-saving opportunities are possible, but only if a rapidly deployed and robust multidisciplinary response component exists.

Adsorption Energies of Carbon, Nitrogen, and Oxygen Atoms on the Low-temperature Amorphous Water Ice: A Systematic Estimation from Quantum Chemistry Calculations

NASA Astrophysics Data System (ADS)

Shimonishi, Takashi; Nakatani, Naoki; Furuya, Kenji; Hama, Tetsuya

2018-03-01

We propose a new simple computational model to estimate the adsorption energies of atoms and molecules to low-temperature amorphous water ice, and we present the adsorption energies of carbon (3 P), nitrogen (4 S), and oxygen (3 P) atoms based on quantum chemistry calculations. The adsorption energies were estimated to be 14,100 ± 420 K for carbon, 400 ± 30 K for nitrogen, and 1440 ± 160 K for oxygen. The adsorption energy of oxygen is consistent with experimentally reported values. We found that the binding of a nitrogen atom is purely physisorption, while that of a carbon atom is chemisorption, in which a chemical bond to an O atom of a water molecule is formed. That of an oxygen atom has a dual character, with both physisorption and chemisorption. The chemisorption of atomic carbon also implies the possibility of further chemical reactions to produce molecules bearing a C–O bond, though this may hinder the formation of methane on water ice via sequential hydrogenation of carbon atoms. These properties would have a large impact on the chemical evolution of carbon species in interstellar environments. We also investigated the effects of newly calculated adsorption energies on the chemical compositions of cold dense molecular clouds with the aid of gas-ice astrochemical simulations. We found that abundances of major nitrogen-bearing molecules, such as N2 and NH3, are significantly altered by applying the calculated adsorption energy, because nitrogen atoms can thermally diffuse on surfaces, even at 10 K.

The adsorption of helium atoms on coronene cations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kurzthaler, Thomas; Rasul, Bilal; Kuhn, Martin

2016-08-14

We report the first experimental study of the attachment of multiple foreign atoms to a cationic polycyclic aromatic hydrocarbon (PAH). The chosen PAH was coronene, C{sub 24}H{sub 12}, which was added to liquid helium nanodroplets and then subjected to electron bombardment. Using mass spectrometry, coronene cations decorated with helium atoms were clearly seen and the spectrum shows peaks with anomalously high intensities (“magic number” peaks), which represent ion-helium complexes with added stability. The data suggest the formation of a rigid helium layer consisting of 38 helium atoms that completely cover both faces of the coronene ion. Additional magic numbers canmore » be seen for the further addition of 3 and 6 helium atoms, which are thought to attach to the edge of the coronene. The observation of magic numbers for the addition of 38 and 44 helium atoms is in good agreement with a recent path integral Monte Carlo prediction for helium atoms on neutral coronene. An understanding of how atoms and molecules attach to PAH ions is important for a number of reasons including the potential role such complexes might play in the chemistry of the interstellar medium.« less

Super-Maxwellian helium evaporation from pure and salty water

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hahn, Christine; Kann, Zachary R.; Faust, Jennifer A.

2016-01-28

Helium atoms evaporate from pure water and salty solutions in super-Maxwellian speed distributions, as observed experimentally and modeled theoretically. The experiments are performed by monitoring the velocities of dissolved He atoms that evaporate from microjets of pure water at 252 K and 4–8.5 molal LiCl and LiBr at 232–252 K. The average He atom energies exceed the flux-weighted Maxwell-Boltzmann average of 2RT by 30% for pure water and 70% for 8.5m LiBr. Classical molecular dynamics simulations closely reproduce the observed speed distributions and provide microscopic insight into the forces that eject the He atoms from solution. Comparisons of the densitymore » profile and He kinetic energies across the water-vacuum interface indicate that the He atoms are accelerated by He–water collisions within the top 1-2 layers of the liquid. We also find that the average He atom kinetic energy scales with the free energy of solvation of this sparingly soluble gas. This free-energy difference reflects the steeply decreasing potential of mean force on the He atoms in the interfacial region, whose gradient is the repulsive force that tends to expel the atoms. The accompanying sharp decrease in water density suppresses the He–water collisions that would otherwise maintain a Maxwell-Boltzmann distribution, allowing the He atom to escape at high energies. Helium is especially affected by this reduction in collisions because its weak interactions make energy transfer inefficient.« less

5 CFR 352.401 - Purpose.

Code of Federal Regulations, 2014 CFR

2014-01-01

... of Presidential Appointees and Elected Officers by the International Atomic Energy Agency § 352.401 Purpose. The purpose of this subpart is to implement section 6(b) of the International Atomic Energy... officers who leave their positions and within 90 days enter employment with the International Atomic Energy...

5 CFR 352.401 - Purpose.

Code of Federal Regulations, 2013 CFR

2013-01-01

... of Presidential Appointees and Elected Officers by the International Atomic Energy Agency § 352.401 Purpose. The purpose of this subpart is to implement section 6(b) of the International Atomic Energy... officers who leave their positions and within 90 days enter employment with the International Atomic Energy...

5 CFR 352.401 - Purpose.

Code of Federal Regulations, 2010 CFR

2010-01-01

... of Presidential Appointees and Elected Officers by the International Atomic Energy Agency § 352.401 Purpose. The purpose of this subpart is to implement section 6(b) of the International Atomic Energy... officers who leave their positions and within 90 days enter employment with the International Atomic Energy...

5 CFR 352.401 - Purpose.

Code of Federal Regulations, 2012 CFR

2012-01-01

... of Presidential Appointees and Elected Officers by the International Atomic Energy Agency § 352.401 Purpose. The purpose of this subpart is to implement section 6(b) of the International Atomic Energy... officers who leave their positions and within 90 days enter employment with the International Atomic Energy...

5 CFR 352.401 - Purpose.

Code of Federal Regulations, 2011 CFR

2011-01-01

... of Presidential Appointees and Elected Officers by the International Atomic Energy Agency § 352.401 Purpose. The purpose of this subpart is to implement section 6(b) of the International Atomic Energy... officers who leave their positions and within 90 days enter employment with the International Atomic Energy...

Fourteenth Semiannual Report of the Commission to the Congress. Major Activities in the Atomic Energy Programs, January - June 1953

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dean, Gordon

1953-07-31

The document represents the fourteenth semiannual Atomic Energy Commission (AEC) report to Congress. The report sums up the major activities and developments in the national atomic energy program covering the period January - June 1953.

Monte Carlo Computational Modeling of the Energy Dependence of Atomic Oxygen Undercutting of Protected Polymers

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Stueber, Thomas J.; Norris, Mary Jo

1998-01-01

A Monte Carlo computational model has been developed which simulates atomic oxygen attack of protected polymers at defect sites in the protective coatings. The parameters defining how atomic oxygen interacts with polymers and protective coatings as well as the scattering processes which occur have been optimized to replicate experimental results observed from protected polyimide Kapton on the Long Duration Exposure Facility (LDEF) mission. Computational prediction of atomic oxygen undercutting at defect sites in protective coatings for various arrival energies was investigated. The atomic oxygen undercutting energy dependence predictions enable one to predict mass loss that would occur in low Earth orbit, based on lower energy ground laboratory atomic oxygen beam systems. Results of computational model prediction of undercut cavity size as a function of energy and defect size will be presented to provide insight into expected in-space mass loss of protected polymers with protective coating defects based on lower energy ground laboratory testing.

78 FR 58995 - Foreign-Trade Zone (FTZ) 138-Columbus, Ohio; Notification of Proposed Production Activity; Rolls...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-09-25

... DEPARTMENT OF COMMERCE Foreign-Trade Zones Board [B-83-2013] Foreign-Trade Zone (FTZ) 138--Columbus, Ohio; Notification of Proposed Production Activity; Rolls Royce Energy Systems, Inc. (Industrial Gas Turbines, Power Generation Turbines, and Generator Sets); Mount Vernon, Ohio The Columbus Regional Airport Authority, grantee of FTZ 138,...

Precipitation of energetic neutral atoms and induced non-thermal escape fluxes from the Martian atmosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lewkow, N. R.; Kharchenko, V.

2014-08-01

The precipitation of energetic neutral atoms, produced through charge exchange collisions between solar wind ions and thermal atmospheric gases, is investigated for the Martian atmosphere. Connections between parameters of precipitating fast ions and resulting escape fluxes, altitude-dependent energy distributions of fast atoms and their coefficients of reflection from the Mars atmosphere, are established using accurate cross sections in Monte Carlo (MC) simulations. Distributions of secondary hot (SH) atoms and molecules, induced by precipitating particles, have been obtained and applied for computations of the non-thermal escape fluxes. A new collisional database on accurate energy-angular-dependent cross sections, required for description of themore » energy-momentum transfer in collisions of precipitating particles and production of non-thermal atmospheric atoms and molecules, is reported with analytic fitting equations. Three-dimensional MC simulations with accurate energy-angular-dependent cross sections have been carried out to track large ensembles of energetic atoms in a time-dependent manner as they propagate into the Martian atmosphere and transfer their energy to the ambient atoms and molecules. Results of the MC simulations on the energy-deposition altitude profiles, reflection coefficients, and time-dependent atmospheric heating, obtained for the isotropic hard sphere and anisotropic quantum cross sections, are compared. Atmospheric heating rates, thermalization depths, altitude profiles of production rates, energy distributions of SH atoms and molecules, and induced escape fluxes have been determined.« less

10 CFR 1.15 - Atomic Safety and Licensing Board Panel.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 1 2014-01-01 2014-01-01 false Atomic Safety and Licensing Board Panel. 1.15 Section 1.15... Panels, Boards, and Committees § 1.15 Atomic Safety and Licensing Board Panel. The Atomic Safety and Licensing Board Panel, established pursuant to section 191 of the Atomic Energy Act of 1954, as amended...

10 CFR 1.15 - Atomic Safety and Licensing Board Panel.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 1 2012-01-01 2012-01-01 false Atomic Safety and Licensing Board Panel. 1.15 Section 1.15... Panels, Boards, and Committees § 1.15 Atomic Safety and Licensing Board Panel. The Atomic Safety and Licensing Board Panel, established pursuant to section 191 of the Atomic Energy Act of 1954, as amended...

10 CFR 1.15 - Atomic Safety and Licensing Board Panel.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Atomic Safety and Licensing Board Panel. 1.15 Section 1.15... Panels, Boards, and Committees § 1.15 Atomic Safety and Licensing Board Panel. The Atomic Safety and Licensing Board Panel, established pursuant to section 191 of the Atomic Energy Act of 1954, as amended...

10 CFR 1.15 - Atomic Safety and Licensing Board Panel.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 1 2013-01-01 2013-01-01 false Atomic Safety and Licensing Board Panel. 1.15 Section 1.15... Panels, Boards, and Committees § 1.15 Atomic Safety and Licensing Board Panel. The Atomic Safety and Licensing Board Panel, established pursuant to section 191 of the Atomic Energy Act of 1954, as amended...

10 CFR 1.15 - Atomic Safety and Licensing Board Panel.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Atomic Safety and Licensing Board Panel. 1.15 Section 1.15... Panels, Boards, and Committees § 1.15 Atomic Safety and Licensing Board Panel. The Atomic Safety and Licensing Board Panel, established pursuant to section 191 of the Atomic Energy Act of 1954, as amended...

Atomic Energy Basics, Understanding the Atom Series.

ERIC Educational Resources Information Center

Atomic Energy Commission, Oak Ridge, TN. Div. of Technical Information.

This booklet is part of the "Understanding the Atom Series," though it is a later edition and not included in the original set of 51 booklets. A basic survey of the principles of nuclear energy and most important applications are provided. These major topics are examined: matter has molecules and atoms, the atom has electrons, the nucleus,…

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCone, John A.

The document represents the first annual reporting versus semiannual reporting of the Atomic Energy Commission (AEC) to Congress. The report consists of three parts: Part One, The Atomic Energy Industry in 1959 and Related Activities; Part Two, Major Activities in Atomic Energy Programs; and Part Three, Management of Radioactive Wastes. Nineteen appendices are also included.

Quantum study of Eley-Rideal reaction and collision induced desorption of hydrogen atoms on a graphite surface. II. H-physisorbed case.

PubMed

Martinazzo, Rocco; Tantardini, Gian Franco

2006-03-28

Following previous investigation of collision induced (CI) processes involving hydrogen atoms chemisorbed on graphite [R. Martinazzo and G. F. Tantardini, J. Chem. Phys. 124, 124702 (2006)], the case in which the target hydrogen atom is initially physisorbed on the surface is considered here. Several adsorbate-substrate initial states of the target H atom in the physisorption well are considered, and CI processes are studied for projectile energies up to 1 eV. Results show that (i) Eley-Rideal cross sections at low collision energies may be larger than those found in the H-chemisorbed case but they rapidly decrease as the collision energy increases; (ii) product hydrogen molecules are vibrationally very excited; (iii) collision induced desorption cross sections rapidly increase, reaching saturation values greater than 10 A2; (iv) trapping of the incident atoms is found to be as efficient as the Eley-Rideal reaction at low energies and remains sizable (3-4 A2) at high energies. The latter adsorbate-induced trapping results mainly in formation of metastable hot hydrogen atoms, i.e., atoms with an excess energy channeled in the motion parallel to the surface. These atoms might contribute in explaining hydrogen formation on graphite.

Do foreign direct investment and renewable energy consumption affect the CO2 emissions? New evidence from a panel ARDL approach to Kyoto Annex countries.

PubMed

Mert, Mehmet; Bölük, Gülden

2016-11-01

This study examines the impact of foreign direct investment (FDI) and the potential of renewable energy consumption on carbon dioxide (CO 2 ) emissions in 21 Kyoto countries using an unbalanced panel data. For this purpose, Environmental Kuznets Curve (EKC) hypothesis was tested using panel cointegration analysis. Panel causality tests show that there are significant long-run causalities from the variables to carbon emissions, renewable energy consumption, fossil fuel energy consumption and inflow foreign direct investments. The results of our model support the pollution haloes hypothesis which states that FDI brings in clean technology and improves the environmental standards. However, an inverted U-shaped relationship (EKC) was not supported by the estimated model for the 21 Kyoto countries. This means that economic growth cannot ensure environmental protection itself or environmental goals cannot await economic growth. Another important finding is that renewable energy consumption decreases carbon emissions. Based on the empirical results, some important policy implications emerge. Kyoto countries should stimulate the FDI inflows and usage of renewable energy consumption to mitigate the air pollution and meet the emission targets. This paper provides new insights into environment and energy policies through FDI inclusion.

Optical perturbation of atoms in weak localization

NASA Astrophysics Data System (ADS)

Yedjour, A.

2018-01-01

We determine the microscopic transport parameters that are necessary to describe the diffusion process of the atomic gas in optical speckle. We use the self-consistent theory to calculate the self-energy of the atomic gas. We compute the spectral function numerically by an average over disorder realizations in terms of the Greens function. We focus mainly on the behaviour of the energy distribution of the atoms to estimate a correction to the mobility edge. Our results show that the energy distribution of the atoms locates the mobility edge position under the disorder amplitude. This behaviour changes for each disorder parameter. We conclude that the disorder amplitude potential induced modification of the energy distribution of the atoms that plays a major role for the prediction of the mobility edge.

48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 48 Federal Acquisition Regulations System 3 2010-10-01 2010-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...

10 CFR 1017.30 - Criminal penalty.

Code of Federal Regulations, 2013 CFR

2013-01-01

... INFORMATION Violations § 1017.30 Criminal penalty. Any person who violates section 148 of the Atomic Energy Act or any regulation or order of the Secretary issued under section 148 of the Atomic Energy Act, including these regulations, may be subject to a criminal penalty under section 223 of the Atomic Energy Act...

10 CFR 780.41 - Contents of application.

Code of Federal Regulations, 2012 CFR

2012-01-01

... of the Atomic Energy Act of 1954 § 780.41 Contents of application. In addition to the information... production or utilization of special nuclear material or atomic energy; (b) The applicant's contention, with... production or utilization of special nuclear material or atomic energy to which applicant proposes to apply...

10 CFR 780.41 - Contents of application.

Code of Federal Regulations, 2010 CFR

2010-01-01

... of the Atomic Energy Act of 1954 § 780.41 Contents of application. In addition to the information... production or utilization of special nuclear material or atomic energy; (b) The applicant's contention, with... production or utilization of special nuclear material or atomic energy to which applicant proposes to apply...

10 CFR 1017.30 - Criminal penalty.

Code of Federal Regulations, 2012 CFR

2012-01-01

... INFORMATION Violations § 1017.30 Criminal penalty. Any person who violates section 148 of the Atomic Energy Act or any regulation or order of the Secretary issued under section 148 of the Atomic Energy Act, including these regulations, may be subject to a criminal penalty under section 223 of the Atomic Energy Act...

10 CFR 780.41 - Contents of application.

Code of Federal Regulations, 2014 CFR

2014-01-01

... of the Atomic Energy Act of 1954 § 780.41 Contents of application. In addition to the information... production or utilization of special nuclear material or atomic energy; (b) The applicant's contention, with... production or utilization of special nuclear material or atomic energy to which applicant proposes to apply...

48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 48 Federal Acquisition Regulations System 3 2011-10-01 2011-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...

48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 48 Federal Acquisition Regulations System 3 2012-10-01 2012-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...

48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 48 Federal Acquisition Regulations System 3 2014-10-01 2014-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...

10 CFR 780.41 - Contents of application.

Code of Federal Regulations, 2013 CFR

2013-01-01

... of the Atomic Energy Act of 1954 § 780.41 Contents of application. In addition to the information... production or utilization of special nuclear material or atomic energy; (b) The applicant's contention, with... production or utilization of special nuclear material or atomic energy to which applicant proposes to apply...

10 CFR 780.41 - Contents of application.

Code of Federal Regulations, 2011 CFR

2011-01-01

... of the Atomic Energy Act of 1954 § 780.41 Contents of application. In addition to the information... production or utilization of special nuclear material or atomic energy; (b) The applicant's contention, with... production or utilization of special nuclear material or atomic energy to which applicant proposes to apply...

10 CFR 1017.30 - Criminal penalty.

Code of Federal Regulations, 2014 CFR

2014-01-01

... INFORMATION Violations § 1017.30 Criminal penalty. Any person who violates section 148 of the Atomic Energy Act or any regulation or order of the Secretary issued under section 148 of the Atomic Energy Act, including these regulations, may be subject to a criminal penalty under section 223 of the Atomic Energy Act...

48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 48 Federal Acquisition Regulations System 3 2013-10-01 2013-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...

A Bibliography of Basic Books on Atomic Energy. Update.

ERIC Educational Resources Information Center

Atomic Energy Commission, Washington, DC. Office of Information Services.

This booklet, part of the United States Atomic Energy Commission's series of information booklets, lists selected commerically published books for the general public on atomic energy and closely related subjects. It includes annotated bibliographies for children (grade level indicated) and adults. The books are arranged by subject, alphabetized by…

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seaborg, Glenn T.

The document represents the 1961 Annual Report of the Atomic Energy Commission (AEC) to Congress. This year's report consists of four parts: Part One, The Atomic Energy Industry for 1961 and Related Activities; Part Two, Nuclear Power Programs for 1961; Part Three, Major Activities in Atomic Energy Programs; and Part Four, Regulatory Activities. Sixteen appendices are also included.

10 CFR 110.50 - Terms.

Code of Federal Regulations, 2010 CFR

2010-01-01

... provisions of the Atomic Energy Act and to all applicable rules, regulations, decisions and orders of the... conditions when required by amendments of the Atomic Energy Act or other applicable law, or by other rules, regulations, decisions or orders issued in accordance with the terms of the Atomic Energy Act or other...

29 CFR 1910.1096 - Ionizing radiation.

Code of Federal Regulations, 2012 CFR

2012-07-01

... material, as defined in the Atomic Energy Act of 1954, as amended, under a license issued by the Nuclear... material, byproduct material, or special nuclear material, as defined in the Atomic Energy Act of 1954, as... source material, byproduct material, or special nuclear material, as defined in the Atomic Energy Act of...

29 CFR 1910.1096 - Ionizing radiation.

Code of Federal Regulations, 2011 CFR

2011-07-01

... material, as defined in the Atomic Energy Act of 1954, as amended, under a license issued by the Nuclear... material, byproduct material, or special nuclear material, as defined in the Atomic Energy Act of 1954, as... source material, byproduct material, or special nuclear material, as defined in the Atomic Energy Act of...

29 CFR 1910.1096 - Ionizing radiation.

Code of Federal Regulations, 2014 CFR

2014-07-01

... material, as defined in the Atomic Energy Act of 1954, as amended, under a license issued by the Nuclear... material, byproduct material, or special nuclear material, as defined in the Atomic Energy Act of 1954, as... source material, byproduct material, or special nuclear material, as defined in the Atomic Energy Act of...

Energy dependence of the trapping of uranium atoms by aluminum oxide surfaces

NASA Technical Reports Server (NTRS)

Librecht, K. G.

1979-01-01

The energy dependence of the trapping probability for sputtered U-235 atoms striking an oxidized aluminum collector surface at energies between 1 eV and 184 eV was measured. At the lowest energies, approximately 10% of the uranium atoms are not trapped, while above 10 eV essentially all of them stick. Trapping probabilities averaged over the sputtered energy distribution for uranium incident on gold and mica are also presented.

Scattered Ion Energetics for H atoms Impinging a Copper Surface

NASA Astrophysics Data System (ADS)

Defazio, J. N.; Stephen, T. M.; Peko, B. L.

2002-05-01

The energy loss and charge state of atomic hydrogen scattered from surfaces is important in a broad range of scientific endeavors. These include the charging of spacecraft, the detection of low energy neutrals in the space environment, energy transfer from magnetically confined plasmas and the modeling of low energy electric discharges. Measurements of scattered ions resulting from low energy (20 - 1000 eV) atomic hydrogen impacting a copper surface have been accomplished. Differential energy distributions and yields for H- and H+ resulting from these collisions are presented. The data show that the energy distributions develop a universal dependence, when scaled by the incident energy. These results are compared with studies involving incident hydrogen ions. For incident energies less than 100eV, there are obvious differences in the scattered ion energy distributions resulting from impacting atoms when compared to those resulting from ions.

Interconfigurational energies in transition-metal atoms using gradient-corrected density-functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kutzler, F.W.; Painter, G.S.

1991-03-15

The rapid variation of charge and spin densities in atoms and molecules provides a severe test for local-density-functional theory and for the use of gradient corrections. In the study reported in this paper, we use the Langreth, Mehl, and Hu (LMH) functional and the generalized gradient approximation (GGA) of Perdew and Yue to calculate {ital s}-{ital d} transition energies, 4{ital s} ionization energies, and 3{ital d} ionization energies for the 3{ital d} transition-metal atoms. These calculations are compared with results from the local-density functional of Vosko, Wilk, and Nusair. By comparison with experimental energies, we find that the gradient functionalsmore » are only marginally more successful than the local-density approximation in calculating energy differences between states in transition-metal atoms. The GGA approximation is somewhat better than the LMH functional for most of the atoms studied, although there are several exceptions.« less

Level-energy-dependent mean velocities of excited tungsten atoms sputtered by krypton-ion bombardment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nogami, Keisuke; Sakai, Yasuhiro; Mineta, Shota

2015-11-15

Visible emission spectra were acquired from neutral atoms sputtered by 35–60 keV Kr{sup +} ions from a polycrystalline tungsten surface. Mean velocities of excited tungsten atoms in seven different 6p states were also obtained via the dependence of photon intensities on the distance from the surface. The average velocities parallel to the surface normal varied by factors of 2–4 for atoms in the different 6p energy levels. However, they were almost independent of the incident ion kinetic energy. The 6p-level energy dependence indicated that the velocities of the excited atoms were determined by inelastic processes that involve resonant charge exchange.

When hydroquinone meets methoxy radical: Hydrogen abstraction reaction from the viewpoint of interacting quantum atoms.

PubMed

Petković, Milena; Nakarada, Đura; Etinski, Mihajlo

2018-05-25

Interacting Quantum Atoms methodology is used for a detailed analysis of hydrogen abstraction reaction from hydroquinone by methoxy radical. Two pathways are analyzed, which differ in the orientation of the reactants at the corresponding transition states. Although the discrepancy between the two barriers amounts to only 2 kJ/mol, which implies that the two pathways are of comparable probability, the extent of intra-atomic and inter-atomic energy changes differs considerably. We thus demonstrated that Interacting Quantum Atoms procedure can be applied to unravel distinct energy transfer routes in seemingly similar mechanisms. Identification of energy components with the greatest contribution to the variation of the overall energy (intra-atomic and inter-atomic terms that involve hydroquinone's oxygen and the carbon atom covalently bound to it, the transferring hydrogen and methoxy radical's oxygen), is performed using the Relative energy gradient method. Additionally, the Interacting Quantum Fragments approach shed light on the nature of dominant interactions among selected fragments: both Coulomb and exchange-correlation contributions are of comparable importance when considering interactions of the transferring hydrogen atom with all other atoms, whereas the exchange-correlation term dominates interaction between methoxy radical's methyl group and hydroquinone's aromatic ring. This study represents one of the first applications of Interacting Quantum Fragments approach on first order saddle points. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Interplay of Nitrogen-Atom Inversion and Conformational Inversion in Enantiomerization of 1H-1-Benzazepines.

PubMed

Ramig, Keith; Subramaniam, Gopal; Karimi, Sasan; Szalda, David J; Ko, Allen; Lam, Aaron; Li, Jeffrey; Coaderaj, Ani; Cavdar, Leyla; Bogdan, Lukasz; Kwon, Kitae; Greer, Edyta M

2016-04-15

A series of 2,4-disubstituted 1H-1-benzazepines, 2a-d, 4, and 6, were studied, varying both the substituents at C2 and C4 and at the nitrogen atom. The conformational inversion (ring-flip) and nitrogen-atom inversion (N-inversion) energetics were studied by variable-temperature NMR spectroscopy and computations. The steric bulk of the nitrogen-atom substituent was found to affect both the conformation of the azepine ring and the geometry around the nitrogen atom. Also affected were the Gibbs free energy barriers for the ring-flip and the N-inversion. When the nitrogen-atom substituent was alkyl, as in 2a-c, the geometry of the nitrogen atom was nearly planar and the azepine ring was highly puckered; the result was a relatively high-energy barrier to ring-flip and a low barrier to N-inversion. Conversely, when the nitrogen-atom substituent was a hydrogen atom, as in 2d, 4, and 6, the nitrogen atom was significantly pyramidalized and the azepine ring was less puckered; the result here was a relatively high energy barrier to N-inversion and a low barrier to ring-flip. In these N-unsubstituted compounds, it was found computationally that the lowest-energy stereodynamic process was ring-flip coupled with N-inversion, as N-inversion alone had a much higher energy barrier.

Energy changes, choices: is U. S. moving ahead

DOE Office of Scientific and Technical Information (OSTI.GOV)

DiBona, C.J.

1980-01-07

Energy changes during 1979 and the response of national leaders to these changes are seen to be a shift from domestic-to foreign-supply problems. Unprecedented increases in the cost of foreign crude oil have reduced gasoline consumption by nine percent, but there is still a danger of intermittent oil shortages because the country lacks a coherent and consistent approach to solving the energy problem. The author sees new tax proposals for phased decontrol of oil prices and an excise tax on profits as contradictory and self-cancelling. Five crucial facts are presented to support his assessment that the combination of taxes andmore » decontrol will actually decrease supplies of domestic oil because the companies will not be left with enough capital to finance exploration and production at a level to replace foreign imports. (DCK)« less

Iran Sanctions

DTIC Science & Technology

2010-06-23

Act) authorizes sanctions on foreign persons (individuals or corporations , not countries or governments ) that are determined by the Administration to...sanctions, particularly those targeting Iran’s energy sector, which provides about 80% of government revenues, can reduce Iran’s ability to support its WMD...foreign firm’s business opportunities in the United States. ISA does not, and probably could not practically, compel any foreign government to take action

News Release: NREL Research Fellow Inducted Into Engineering Academy | News

Science.gov Websites

Department's National Renewable Energy Laboratory (NREL), has been elected as a foreign member to the National Academy of Engineering. Only 16 foreign members were chosen this year. O'Malley joined NREL in September education. There are 2,293 members in the academy, only 262 are from foreign countries. O'Malley was singled

Influence of foreign direct investment on indicators of environmental degradation.

PubMed

Solarin, Sakiru Adebola; Al-Mulali, Usama

2018-06-21

This study aims to contribute to the existing literature by looking at the influence of foreign direct investment on carbon dioxide emissions, carbon footprint, and ecological footprint. In order to realize the aim of this study, we have utilized the augmented mean group estimator, which is supported by common correlated effect mean group estimator in the analysis for 20 countries. The panel results reveal that foreign direct investment has no effect on environmental degradation indicators. The panel results further reveal that gross domestic product, energy consumption, and urbanization are the main contributors to environmental degradation. The results at country level show that foreign direct investment and urbanization increase pollution in the developing countries while they mitigate pollution in the developed countries. Moreover, gross domestic product and energy consumption increase pollution for both developed and developing countries, which includes China and the USA. The negative impact of foreign direct investment on environmental degradation in the developed countries can be explained on the basis that these countries have strong environmental regulations, which makes it almost impossible for dirty foreign industries to invest therein. From the output of this research, several policy recommendations are enumerated for the investigated countries.

17 CFR 210.2-03 - Examination of financial statements by foreign government auditors.

Code of Federal Regulations, 2012 CFR

2012-04-01

... OF 1940, AND ENERGY POLICY AND CONSERVATION ACT OF 1975 Qualifications and Reports of Accountants... requirements as to examination by independent accountants, the financial statements of any foreign governmental...

17 CFR 210.2-03 - Examination of financial statements by foreign government auditors.

Code of Federal Regulations, 2014 CFR

2014-04-01

... OF 1940, AND ENERGY POLICY AND CONSERVATION ACT OF 1975 Qualifications and Reports of Accountants... requirements as to examination by independent accountants, the financial statements of any foreign governmental...

17 CFR 210.2-03 - Examination of financial statements by foreign government auditors.

Code of Federal Regulations, 2013 CFR

2013-04-01

... OF 1940, AND ENERGY POLICY AND CONSERVATION ACT OF 1975 Qualifications and Reports of Accountants... requirements as to examination by independent accountants, the financial statements of any foreign governmental...

Energy dissipation unveils atomic displacement in the noncontact atomic force microscopy imaging of Si(111 )-(7 ×7 )

NASA Astrophysics Data System (ADS)

Arai, Toyoko; Inamura, Ryo; Kura, Daiki; Tomitori, Masahiko

2018-03-01

The kinetic energy of the oscillating cantilever of noncontact atomic force microscopy (nc-AFM) at room temperature was considerably dissipated over regions between a Si adatom and its neighboring rest atom for Si(111 )-(7 ×7 ) in close proximity to a Si tip on the cantilever. However, nc-AFM topographic images showed no atomic features over those regions, which were the hollow sites of the (7 ×7 ). This energy dissipation likely originated from displacement of Si adatoms with respect to the tip over the hollow sites, leading to a lateral shift of the adatoms toward the rest atom. This interaction led to hysteresis over each cantilever oscillation cycle; when the tip was retracted, the Si adatom likely returned to its original position. To confirm the atomic processes involved in the force interactions through Si dangling bonds, the Si(111 )-(7 ×7 ) surface was partly terminated with atomic hydrogen (H) and examined by nc-AFM. When the Si adatoms and/or the rest atoms were terminated with H, the hollow sites were not bright (less dissipation) in images of the energy dissipation channels by nc-AFM. The hollow sites acted as metastable sites for Si adatoms in surface diffusion and atom manipulation; thus, the dissipation energy which is saturated on the tip likely corresponds to the difference in the potential energy between the hollow site and the Si adatom site. In this study, we demonstrated the ability of dissipation channels of nc-AFM to enable visualization of the dynamics of atoms and molecules on surfaces, which cannot be revealed by nc-AFM topographic images alone.

Structural stability and electronic properties of β-tetragonal boron: A first-principles study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hayami, Wataru, E-mail: hayami.wataru@nims.go.jp

2015-01-15

It is known that elemental boron has five polymorphs: α- and β-rhombohedral, α- and β-tetragonal, and the high-pressure γ phase. β-tetragonal (β-t) boron was first discovered in 1960, but there have been only a few studies since then. We have thoroughly investigated, using first-principles calculations, the atomic and electronic structures of β-t boron, the details of which were not known previously. The difficulty of calculation arises from the fact that β-t boron has a large unit cell that contains between 184 and 196 atoms, with 12 partially-occupied interstitial sites. This makes the number of configurations of interstitial atoms too greatmore » to calculate them all. By introducing assumptions based on symmetry and preliminary calculations, the number of configurations to calculate can be greatly reduced. It was eventually found that β-t boron has the lowest total energy, with 192 atoms (8 interstitial atoms) in an orthorhombic lattice. The total energy per atom was between those of α- and β-rhombohedral boron. Another tetragonal structure with 192 atoms was found to have a very close energy. The valence bands were fully filled and the gaps were about 1.16 to 1.54 eV, making it comparable to that of β-rhombohedral boron. - Graphical abstract: Electronic density distribution for the lowest-energy configuration (N=192) viewed from the 〈1 0 0〉 direction. Left: isosurface (yellow) at d=0.09 electrons/a.u.{sup 3} Right: isosurface (orange) at d=0.12 electrons/a.u.{sup 3}. - Highlights: • β-tetragonal boron was thoroughly investigated using first-principles calculations. • The lowest energy structure contains 192 atoms in an orthorhombic lattice. • Another tetragonal structure with 192 atoms has a very close energy. • The total energy per atom is between those of α- and β-rhombohedral boron. • The band gap of the lowest energy structure is about 1.16 to 1.54 eV.« less

Modeling the impact of transport energy consumption on CO2 emission in Pakistan: Evidence from ARDL approach.

PubMed

Danish; Baloch, Muhammad Awais; Suad, Shah

2018-04-01

The objective of this research is to examine the relationship between transport energy consumption, economic growth, and carbon dioxide emission (CO 2 ) from transport sector incorporating foreign direct investment and urbanization. This study is carried out in Pakistan by applying autoregressive distributive lag (ARDL) and vector error correction model (VECM) over 1990-2015. The empirical results indicate a strong significant impact of transport energy consumption on CO 2 emissions from the transportation sector. Furthermore, foreign direct investment also contributes to CO 2 emission. Interestingly, the impact of economic growth and urbanization on transport CO 2 emission is statistically insignificant. Overall, transport energy consumption and foreign direct investment are not environmentally friendly. The new empirical evidence from this study provides a complete picture of the determinants of emissions from the transport sector and these novel findings not only help to advance the existing literature but also can be of special interest to the country's policymakers. So, we urge that government needs to focus on promoting the energy efficient means of transportation to improve environmental quality with less adverse influence on economic growth.

40 CFR 23.9 - Timing of Administrator's action under the Atomic Energy Act.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 1 2014-07-01 2014-07-01 false Timing of Administrator's action under the Atomic Energy Act. 23.9 Section 23.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Atomic Energy Act. Unless the Administrator otherwise explicitly provides in a particular order, the time...

40 CFR 23.9 - Timing of Administrator's action under the Atomic Energy Act.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 1 2010-07-01 2010-07-01 false Timing of Administrator's action under the Atomic Energy Act. 23.9 Section 23.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Atomic Energy Act. Unless the Administrator otherwise explicitly provides in a particular order, the time...

40 CFR 23.9 - Timing of Administrator's action under the Atomic Energy Act.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 1 2011-07-01 2011-07-01 false Timing of Administrator's action under the Atomic Energy Act. 23.9 Section 23.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Atomic Energy Act. Unless the Administrator otherwise explicitly provides in a particular order, the time...

75 FR 7337 - Certifications Pursuant to Section 104 of the United States-India Nuclear Cooperation Approval...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-19

... Agreement Between India and the International Atomic Energy Agency Memorandum for the Secretary of State... Government of India and the International Atomic Energy Agency for the Application of Safeguards to Civilian Nuclear Facilities, as approved by the Board of Governors of the International Atomic Energy Agency on...

40 CFR 23.9 - Timing of Administrator's action under the Atomic Energy Act.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 1 2012-07-01 2012-07-01 false Timing of Administrator's action under the Atomic Energy Act. 23.9 Section 23.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Atomic Energy Act. Unless the Administrator otherwise explicitly provides in a particular order, the time...

40 CFR 23.9 - Timing of Administrator's action under the Atomic Energy Act.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 1 2013-07-01 2013-07-01 false Timing of Administrator's action under the Atomic Energy Act. 23.9 Section 23.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Atomic Energy Act. Unless the Administrator otherwise explicitly provides in a particular order, the time...

10 CFR 780.1 - Scope.

Code of Federal Regulations, 2014 CFR

2014-01-01

... patent affected with the public interest pursuant to section 153a of the Atomic Energy Act of 1954 (Pub... section 157 of the Atomic Energy Act of 1954; (c) Proceedings for the grant of an award pursuant to section 157 of the Atomic Energy Act of 1954; (d) Proceedings to obtain compensation pursuant to section...

Energetic Metastable Oxygen and Nitrogen Atoms in the Terrestrial Atmosphere

NASA Technical Reports Server (NTRS)

Kharchenko, Vasili

2003-01-01

We have investigated the energy distributions of the metastable oxygen atoms in the terrestrial thermosphere. Nascent O(lD) atoms play a fundamental role in the energy balance and chemistry of the terrestrial atmosphere, because they are produced by photo-chemical reactions in the excited electronic states and carry significant translational energies.

Twenty-first Semiannual Report of the Commission to the Congress, January 1957

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strauss, Lewis L.

1957-01-31

The document represents the twenty-first semiannual Atomic Energy Commission (AEC) report to Congress. The report sums up the major activities and developments in the national atomic energy program covering the period July - December 1956. A special part two of this semiannual report addresses specifically Radiation Safety in Atomic Energy Activities.

Correlation of Hydrogen-Atom Abstraction Reaction Efficiencies for Aryl Radicals with their Vertical Electron Affinities and the Vertical Ionization Energies of the Hydrogen Atom Donors

PubMed Central

Jing, Linhong; Nash, John J.

2009-01-01

The factors that control the reactivities of aryl radicals toward hydrogen-atom donors were studied by using a dual-cell Fourier-transform ion cyclotron resonance mass spectrometer (FT – ICR). Hydrogen-atom abstraction reaction efficiencies for two substrates, cyclohexane and isopropanol, were measured for twenty-three structurally different, positively-charged aryl radicals, which included dehydrobenzenes, dehydronaphthalenes, dehydropyridines, and dehydro(iso)quinolines. A logarithmic correlation was found between the hydrogen-atom abstraction reaction efficiencies and the (calculated) vertical electron affinities (EA) of the aryl radicals. Transition state energies calculated for three of the aryl radicals with isopropanol were found to correlate linearly with their (calculated) EAs. No correlation was found between the hydrogen-atom abstraction reaction efficiencies and the (calculated) enthalpy changes for the reactions. Measurement of the reaction efficiencies for the reactions of several different hydrogen-atom donors with a few selected aryl radicals revealed a logarithmic correlation between the hydrogen-atom abstraction reaction efficiencies and the vertical ionization energies (IE) of the hydrogen-atom donors, but not the lowest homolytic X – H (X = heavy atom) bond dissociation energies of the hydrogen-atom donors. Examination of the hydrogen-atom abstraction reactions of twenty-nine different aryl radicals and eighteen different hydrogen-atom donors showed that the reaction efficiency increases (logarithmically) as the difference between the IE of the hydrogen-atom donor and the EA of the aryl radical decreases. This dependence is likely to result from the increasing polarization, and concomitant stabilization, of the transition state as the energy difference between the neutral and ionic reactants decreases. Thus, the hydrogen-atom abstraction reaction efficiency for an aryl radical can be “tuned” by structural changes that influence either the vertical EA of the aryl radical or the vertical IE of the hydrogen atom donor. PMID:19061320

Medical RI development plan of KOMAC

NASA Astrophysics Data System (ADS)

Kim, Kye-Ryung; Jung, Myung-Hwan; Yoon, Sang-Pil; Min, Yi-Sub; Cho, Yong-Sub

2017-12-01

Many kinds of radioisotopes (RIs) produced by the high energy (100 200 MeV) proton accelerators are developed by the foreign R&D institutes and the worldwide demands are being increased continuously. The RI production using high energy proton beam higher than 50 MeV was not considerable because of the limit of the proton beam energy from existing proton accelerator facilities in Korea before 2013. The available maximum proton energy was 50 MeV from MC-50 cyclotron of Korea Institute of Radiological and Medical Sciences (KIRAMS) at that time. After the construction of a 100 MeV high-current and high-energy proton accelerator and a new irradiation facility for the RI production in 2013 and 2016 by the Korea Multi-purpose Accelerator Complex (KOMAC) at Korea Atomic Energy Research Institute (KAERI), we can make a plan for the new RI production of Cu-67, Sr-82 and so on. In the medical application fields, the worldwide demand of Sr-82 is being increased rapidly during last several years and the domestic demand of Cu-67 is also expected to be increased in near future. And alpha-emitters, such as Ac-225 and Ra-223, are becoming attractive to the users in the medical science fields in the future. The RI development plan of KOMAC was specified recently reflecting the recent environment changes and requirements from the users. In this paper, the results and present status of RI production and R&D facilities, calculation results related to the RI production yields, and future plans is presented.

On the atomic-number similarity of the binding energies of electrons in filled shells of elements of the periodic table

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karpov, V. Ya.; Shpatakovskaya, G. V., E-mail: shpagalya@yandex.ru

An expression for the binding energies of electrons in the ground state of an atom is derived on the basis of the Bohr–Sommerfeld quantization rule within the Thomas–Fermi model. The validity of this relation for all elements from neon to uranium is tested within a more perfect quantum-mechanical model with and without the inclusion of relativistic effects, as well as with experimental binding energies. As a result, the ordering of electronic levels in filled atomic shells is established, manifested in an approximate atomic-number similarity. It is proposed to use this scaling property to analytically estimate the binding energies of electronsmore » in an arbitrary atom.« less

Nonperturbative theory for the dispersion self-energy of atoms

NASA Astrophysics Data System (ADS)

Thiyam, Priyadarshini; Persson, C.; Brevik, I.; Sernelius, Bo E.; Boström, Mathias

2014-11-01

We go beyond the approximate series expansions used in the dispersion theory of finite-size atoms. We demonstrate that a correct, and nonperturbative, theory dramatically alters the dispersion self-energies of atoms. The nonperturbed theory gives as much as 100 % corrections compared to the traditional series-expanded theory for the smaller noble gas atoms.

Kinetic Energy Distribution of D(2p) Atoms From Analysis of the D Lyman-a Line Profile

NASA Technical Reports Server (NTRS)

Ciocca, Marco; Ajello, Joseph M.; Liu, Xianming; Maki, Justin

1997-01-01

The absolute cross sections of the line center (slow atoms) and wings (fast atoms) and total emission line profile were measured from threshold to 400 eV. Analytical model coeffiecients are given for the energy dependence of the measured slow atom cross section.

Z-dependence of mean excitation energies for second and third row atoms and their ions

NASA Astrophysics Data System (ADS)

Sauer, Stephan P. A.; Sabin, John R.; Oddershede, Jens

2018-05-01

All mean excitation energies for second and third row atoms and their ions are calculated in the random-phase approximation using large basis sets. To a very good approximation, it turns out that mean excitation energies within an isoelectronic series are a quadratic function of the nuclear charge. It is demonstrated that this behavior is linked to the fact that the contributions from continuum electronic states give the dominate contributions to the mean excitation energies and that these contributions for atomic ions appear hydrogen-like. We argue that this finding may present a method to get a first estimate of mean excitation energies also for other non-relativistic atomic ions.

Mean excitation energies for molecular ions

NASA Astrophysics Data System (ADS)

Jensen, Phillip W. K.; Sauer, Stephan P. A.; Oddershede, Jens; Sabin, John R.

2017-03-01

The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase with ionic charge. However, while the mean excitation energies of atoms also increase with atomic number, the opposite is the case for mean excitation energies for molecules and molecular ions. The origin of these effects is explained by considering the spectral representation of the excited state contributing to the mean excitation energy.

48 CFR 252.204-7010 - Requirement for Contractor To Notify DoD if the Contractor's Activities are Subject to Reporting...

Code of Federal Regulations, 2013 CFR

2013-10-01

... Atomic Energy Agency Additional Protocol. 252.204-7010 Section 252.204-7010 Federal Acquisition... Atomic Energy Agency Additional Protocol. As prescribed in 204.470-3, use the following clause....-International Atomic Energy Agency Additional Protocol (JAN 2009) (a) If the Contractor is required to report...

48 CFR 252.204-7010 - Requirement for Contractor To Notify DoD if the Contractor's Activities are Subject to Reporting...

Code of Federal Regulations, 2014 CFR

2014-10-01

... Atomic Energy Agency Additional Protocol. 252.204-7010 Section 252.204-7010 Federal Acquisition... Atomic Energy Agency Additional Protocol. As prescribed in 204.470-3, use the following clause....-International Atomic Energy Agency Additional Protocol (JAN 2009) (a) If the Contractor is required to report...

48 CFR 252.204-7010 - Requirement for Contractor to Notify DoD if the Contractor's Activities are Subject to Reporting...

Code of Federal Regulations, 2012 CFR

2012-10-01

... Atomic Energy Agency Additional Protocol. 252.204-7010 Section 252.204-7010 Federal Acquisition... Atomic Energy Agency Additional Protocol. As prescribed in 204.470-3, use the following clause....-International Atomic Energy Agency Additional Protocol (JAN 2009) (a) If the Contractor is required to report...

48 CFR 252.204-7010 - Requirement for Contractor to Notify DoD if the Contractor's Activities are Subject to Reporting...

Code of Federal Regulations, 2011 CFR

2011-10-01

... Atomic Energy Agency Additional Protocol. 252.204-7010 Section 252.204-7010 Federal Acquisition... Atomic Energy Agency Additional Protocol. As prescribed in 204.470-3, use the following clause....-International Atomic Energy Agency Additional Protocol (JAN 2009) (a) If the Contractor is required to report...

First-principles study on alkali-metal effect of Li, Na, and K in CuInSe2 and CuGaSe2

NASA Astrophysics Data System (ADS)

Maeda, Tsuyoshi; Kawabata, Atsuhito; Wada, Takahiro

2015-08-01

The substitution energies and migration energies of the alkali metal atoms of Li, Na, and K in CuInSe2 (CIS) and CuGaSe2 (CGS) were investigated by first-principles calculations. The substitution energies of Li, Na, and K atoms in CIS and CGS were calculated for two different cationic atom positions of Cu and In/Ga in the chalcopyrite unit cell. In CIS and CGS, the substitution energies of NaCu are much lower than those of NaIn and NaGa. The substitution energies of the LiCu atoms in CIS and CGS are lower than those of NaCu, while the substitution energies of KCu atoms in CIS and CGS are much higher than those of NaCu. Therefore, it is difficult to form KCu in CIS and CGS. The migration energies of Li, Na, and K atoms in CIS and CGS are obtained by a combination of the linear and quadratic synchronous transit (LST/QST) methods and the nudged elastic band (NEB) method. The theoretical migration energies of a Na atom at the Cu site to the nearest Cu vacancy (NaCu → VCu) in CIS and CGS are much lower than those of (CuCu → VCu) in CIS and CGS. The mechanism underlying the alkali metal effect of Li, Na, and K in the CIGS film during the post-deposition treatment of LiF, NaF, and KF is discussed on the basis of the calculated substitution and migration energies.

Use of dc Ar microdischarge with nonlocal plasma for identification of metal samples

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kudryavtsev, A. A., E-mail: akud@ak2138.spb.edu; Stefanova, M. S.; Pramatarov, P. M.

2015-04-07

The possibility of using the collisional electron spectroscopy (CES) method for the detection of atoms from metal samples is experimentally verified. The detection and identification of metal atoms from a Pt sample in the nonlocal plasma of short (without positive column) dc Ar microdischarge at intermediate pressures (5–30 Torr) is realized in this work. Cathode sputtering is used for atomization of the metal under analysis. The identification of the analyzed metal is made from the energy spectra of groups of fast nonlocal electrons—characteristic electrons released in the Penning ionization of the Pt atoms by Ar metastable atoms and molecules. The acquisitionmore » of the electron energy spectra is performed using an additional electrode—a sensor located at the boundary of the discharge volume. The Pt characteristic Penning electrons form the maxima in the electron energy spectra at the energies of their appearance, which are 2.6 eV and 1.4 eV. From the measured energy of the maxima, identification of the metal atoms is accomplished. The characteristic Ar maxima due to pair collisions between Ar metastable atoms and molecules and super-elastic collisions are also recorded. This study demonstrates the possibility of creating a novel microplasma analyzer for atoms from metal samples.« less

Quadrupole type mass spectrometric study of the abstraction reaction between hydrogen atoms and ethane.

PubMed

Bayrakçeken, Fuat

2008-02-01

The reactions of photochemically generated deuterium atoms of selected initial translational energy with ethane have been investigated. At each initial energy the relative probability of the atoms undergoing reaction or energy loss on collision with ethane was investigated, and the phenomenological threshold energy was measured as 30+/-5kJmol(-1) for the abstraction from the secondary C-H bonds. The ratio of relative yields per bond, secondary:primary was approximately 3 at the higher energies studied. The correlation of threshold energies with bond dissociation energies, heats of reaction and activation energies is discussed for abstraction reactions with several hydrocarbons.

Universal aspects of adhesion and atomic force microscopy

NASA Technical Reports Server (NTRS)

Banerjea, Amitava; Smith, John R.; Ferrante, John

1990-01-01

Adhesive energies are computed for flat and atomically sharp tips as a function of the normal distance to the substrate. The dependence of binding energies on tip shape is investigated. The magnitudes of the binding energies for the atomic force microscope are found to depend sensitively on tip material, tip shape and the sample site being probed. The form of the energy-distance curve, however, is universal and independent of these variables, including tip shape.

Learning molecular energies using localized graph kernels.

PubMed

Ferré, Grégoire; Haut, Terry; Barros, Kipton

2017-03-21

Recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturally incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. We benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.

Learning molecular energies using localized graph kernels

NASA Astrophysics Data System (ADS)

Ferré, Grégoire; Haut, Terry; Barros, Kipton

2017-03-01

Recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturally incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. We benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.

41 CFR 102-73.185 - What types of special purpose space may the Department of Energy lease?

Code of Federal Regulations, 2013 CFR

2013-07-01

... Energy, as the successor to the Atomic Energy Commission, is delegated authority to lease facilities housing the special purpose or special location activities of the old Atomic Energy Commission. ...

76 FR 77561 - Atomic Safety and Licensing Board; In the Matter of Progress Energy Florida, Inc.; (Levy County...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-12-13

...] Atomic Safety and Licensing Board; In the Matter of Progress Energy Florida, Inc.; (Levy County Nuclear... Statements) This Atomic Safety and Licensing Board hereby gives notice that it will accept oral or written..., Inc.; Establishment of Atomic Safety and Licensing Board, 74 FR 9113 (Mar. 2, 2009) (ADAMS Accession...

Books on Atomic Energy for Adults and Children, Understanding the Atom Series.

ERIC Educational Resources Information Center

Atomic Energy Commission, Oak Ridge, TN. Div. of Technical Information.

This booklet in the "Understanding the Atom" series includes annotated bibliographies for children (grade level indicated) and adults. Over 100 basic books on atomic energy and closely related subjects are alphabetized by title and an author index. A list of publisher addresses are included. A brief introduction to library usage is given. The…

History of the United States Atomic Energy Commission. Volume II. 1947 / 1952, Atomic Shield

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hewlett, Richard G.; Duncan, Francis

1972-01-01

Sponsored by the Historical Advisory Committee of the Atomic Energy Commission (AEC), this 2-volume series provides an unclassified history of the AEC. Volume I is subtitled ''The New World'' and covers the AEC from 1939 through 1946. This volume, Volume II, is subtitled ''Atomic Shield'' and covers the years 1947 through 1952.

Cucurbit[6]uril: A Possible Host for Noble Gas Atoms.

PubMed

Pan, Sudip; Mandal, Subhajit; Chattaraj, Pratim K

2015-08-27

Density functional and ab initio molecular dynamics studies are carried out to investigate the stability of noble gas encapsulated cucurbit[6]uril (CB[6]) systems. Interaction energy, dissociation energy and dissociation enthalpy are calculated to understand the efficacy of CB[6] in encapsulating noble gas atoms. CB[6] could encapsulate up to three Ne atoms having dissociation energy (zero-point energy corrected) in the range of 3.4-4.1 kcal/mol, whereas due to larger size, only one Ar or Kr atom encapsulated analogues would be viable. The dissociation energy value for the second Ar atom is only 1.0 kcal/mol. On the other hand, the same for the second Kr is -0.5 kcal/mol, implying the instability of the system. The noble gas dissociation processes are endothermic in nature, which increases gradually along Ne to Kr. Kr encapsulated analogue is found to be viable at room temperature. However, low temperature is needed for Ne and Ar encapsulated analogues. The temperature-pressure phase diagram highlights the region in which association and dissociation processes of Kr@CB[6] would be favorable. At ambient temperature and pressure, CB[6] may be used as an effective noble gas carrier. Wiberg bond indices, noncovalent interaction indices, electron density, and energy decomposition analyses are used to explore the nature of interaction between noble gas atoms and CB[6]. Dispersion interaction is found to be the most important term in the attraction energy. Ne and Ar atoms in one Ng entrapped analogue are found to stay inside the cavity of CB[6] throughout the simulation at 298 K. However, during simulation Ng2 units in Ng2@CB[6] flip toward the open faces of CB[6]. After 1 ps, one Ne atom of Ne3@CB[6] almost reaches the open face keeping other two Ne atoms inside. At lower temperature (77 K), all the Ng atoms in Ngn@CB[6] remain well inside the cavity of CB[6] throughout the simulation time (1 ps).

Matter, energy, and heat transfer in a classical ballistic atom pump.

PubMed

Byrd, Tommy A; Das, Kunal K; Mitchell, Kevin A; Aubin, Seth; Delos, John B

2014-11-01

A ballistic atom pump is a system containing two reservoirs of neutral atoms or molecules and a junction connecting them containing a localized time-varying potential. Atoms move through the pump as independent particles. Under certain conditions, these pumps can create net transport of atoms from one reservoir to the other. While such systems are sometimes called "quantum pumps," they are also models of classical chaotic transport, and their quantum behavior cannot be understood without study of the corresponding classical behavior. Here we examine classically such a pump's effect on energy and temperature in the reservoirs, in addition to net particle transport. We show that the changes in particle number, of energy in each reservoir, and of temperature in each reservoir vary in unexpected ways as the incident particle energy is varied.

Trapping hydrogen atoms from a neon-gas matrix: a theoretical simulation.

PubMed

Bovino, S; Zhang, P; Kharchenko, V; Dalgarno, A

2009-08-07

Hydrogen is of critical importance in atomic and molecular physics and the development of a simple and efficient technique for trapping cold and ultracold hydrogen atoms would be a significant advance. In this study we simulate a recently proposed trap-loading mechanism for trapping hydrogen atoms released from a neon matrix. Accurate ab initio quantum calculations are reported of the neon-hydrogen interaction potential and the energy- and angular-dependent elastic scattering cross sections that control the energy transfer of initially cold atoms are obtained. They are then used to construct the Boltzmann kinetic equation, describing the energy relaxation process. Numerical solutions of the Boltzmann equation predict the time evolution of the hydrogen energy distribution function. Based on the simulations we discuss the prospects of the technique.

76 FR 17406 - Proposed Subsequent Arrangement

Federal Register 2010, 2011, 2012, 2013, 2014

2011-03-29

... the Peaceful Uses of Nuclear Energy Between the European Atomic Energy Community (EURATOM) and the... America and the Government of Norway Concerning Peaceful Uses of Nuclear Energy. DATES: This subsequent... Peaceful Uses of Nuclear Energy. In accordance with section 131a. of the Atomic Energy Act of 1954, as...

Returning HEU Fuel from the Czech Republic to Russia

DOE Office of Scientific and Technical Information (OSTI.GOV)

Michael Tyacke; Dr. Igor Bolshinsky

In December 1999, representatives from the United States, Russian Federation, and International Atomic Energy Agency began working on a program to return Russian supplied, highly enriched, uranium fuel stored at foreign research reactors to Russia. Now, under the Global Threat Reduction Initiative’s Russian Research Reactor Fuel Return Program, this effort has repatriated over 800 kg of highly enriched uranium to Russia from over 10 countries. In May 2004, the “Agreement Between the Government of the United States of America and the Government of the Russian Federation Concerning Cooperation for the Transfer of Russian Produced Research Reactor Nuclear Fuel to themore » Russian Federation” was signed. This agreement provides legal authority for the Russian Research Reactor Fuel Return Program and establishes parameters whereby eligible countries may return highly enriched uranium spent and fresh fuel assemblies and other fissile materials to Russia. On December 8, 2007, one of the largest shipments of highly enriched uranium spent nuclear fuel was successfully made from a Russian-designed nuclear research reactor in the Czech Republic to the Russian Federation. This accomplishment is the culmination of years of planning, negotiations, and hard work. The United States, Russian Federation, and the International Atomic Energy Agency have been working together. In February 2003, Russian Research Reactor Fuel Return Program representatives met with the Nuclear Research Institute in Rež, Czech Republic, and discussed the return of their highly enriched uranium spent nuclear fuel to the Russian Federation for reprocessing. Nearly 5 years later, the shipment was made. This article discusses the planning, preparations, coordination, and cooperation required to make this important international shipment.« less

41 CFR 50-204.34 - AEC licensees-AEC contractors operating AEC plants and facilities-AEC agreement State licensees...

Code of Federal Regulations, 2014 CFR

2014-07-01

... material, or special nuclear material, as defined in the Atomic Energy Act of 1954, as amended, under a license issued by the Atomic Energy Commission and in accordance with the requirements of 10 CFR part 20... contract with the Atomic Energy Commission for the operation of AEC plants and facilities and in accordance...

10 CFR 780.53 - Criteria for decisions for royalties, awards and compensation.

Code of Federal Regulations, 2012 CFR

2012-01-01

... Application for Royalties and Awards Under Section 157 of the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of 1954 and the Invention Secrecy Act (35 U.S.C. 183) § 780.53... special nuclear material or atomic energy, the Board shall take into account the considerations set forth...

10 CFR 780.53 - Criteria for decisions for royalties, awards and compensation.

Code of Federal Regulations, 2011 CFR

2011-01-01

... Application for Royalties and Awards Under Section 157 of the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of 1954 and the Invention Secrecy Act (35 U.S.C. 183) § 780.53... special nuclear material or atomic energy, the Board shall take into account the considerations set forth...

41 CFR 50-204.34 - AEC licensees-AEC contractors operating AEC plants and facilities-AEC agreement State licensees...

Code of Federal Regulations, 2013 CFR

2013-07-01

... material, or special nuclear material, as defined in the Atomic Energy Act of 1954, as amended, under a license issued by the Atomic Energy Commission and in accordance with the requirements of 10 CFR part 20... contract with the Atomic Energy Commission for the operation of AEC plants and facilities and in accordance...

10 CFR 780.53 - Criteria for decisions for royalties, awards and compensation.

Code of Federal Regulations, 2014 CFR

2014-01-01

... Application for Royalties and Awards Under Section 157 of the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of 1954 and the Invention Secrecy Act (35 U.S.C. 183) § 780.53... special nuclear material or atomic energy, the Board shall take into account the considerations set forth...

10 CFR 780.53 - Criteria for decisions for royalties, awards and compensation.

Code of Federal Regulations, 2013 CFR

2013-01-01

... Application for Royalties and Awards Under Section 157 of the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of 1954 and the Invention Secrecy Act (35 U.S.C. 183) § 780.53... special nuclear material or atomic energy, the Board shall take into account the considerations set forth...

Interaction of sodium atoms with stacking faults in silicon with different Fermi levels

NASA Astrophysics Data System (ADS)

Ohno, Yutaka; Morito, Haruhiko; Kutsukake, Kentaro; Yonenaga, Ichiro; Yokoi, Tatsuya; Nakamura, Atsutomo; Matsunaga, Katsuyuki

2018-06-01

Variation in the formation energy of stacking faults (SFs) with the contamination of Na atoms was examined in Si crystals with different Fermi levels. Na atoms agglomerated at SFs under an electronic interaction, reducing the SF formation energy. The energy decreased with the decrease of the Fermi level: it was reduced by more than 10 mJ/m2 in p-type Si, whereas it was barely reduced in n-type Si. Owing to the energy reduction, Na atoms agglomerating at SFs in p-type Si are stable compared with those in n-type Si, and this hypothesis was supported by ab initio calculations.

Relative Energy Shift of a Two-Level Atom in a Cylindrical Spacetime

NASA Astrophysics Data System (ADS)

Zhang, Jia-Lin

2012-11-01

We investigate the evolution dynamics of a two-level atom system interacting with the massless scalar field in a Cylindrical spacetime. We find that both the energy shifts of ground state and excited state can be separated into two parts due to the vacuum fluctuations. One is the corresponding energy shift for a rest atom in four-dimensional Minkowski space without spatial compactification, the other is just the modification of the spatial compactified periodic length. It will reveal that the influence of the presence of one spatial compactified dimension can not be neglected in Lamb shift as the relative energy level shift of an atom.

Effect of Atomic Charges on Octanol-Water Partition Coefficient Using Alchemical Free Energy Calculation.

PubMed

Ogata, Koji; Hatakeyama, Makoto; Nakamura, Shinichiro

2018-02-15

The octanol-water partition coefficient (log P ow ) is an important index for measuring solubility, membrane permeability, and bioavailability in the drug discovery field. In this paper, the log P ow values of 58 compounds were predicted by alchemical free energy calculation using molecular dynamics simulation. In free energy calculations, the atomic charges of the compounds are always fixed. However, they must be recalculated for each solvent. Therefore, three different sets of atomic charges were tested using quantum chemical calculations, taking into account vacuum, octanol, and water environments. The calculated atomic charges in the different environments do not necessarily influence the correlation between calculated and experimentally measured ∆ G water values. The largest correlation coefficient values of the solvation free energy in water and octanol were 0.93 and 0.90, respectively. On the other hand, the correlation coefficient of log P ow values calculated from free energies, the largest of which was 0.92, was sensitive to the combination of the solvation free energies calculated from the calculated atomic charges. These results reveal that the solvent assumed in the atomic charge calculation is an important factor determining the accuracy of predicted log P ow values.

Using Density Functional Theory (DFT) for the Calculation of Atomization Energies

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

The calculation of atomization energies using density functional theory (DFT), using the B3LYP hybrid functional, is reported. The sensitivity of the atomization energy to basis set is studied and compared with the coupled cluster singles and doubles approach with a perturbational estimate of the triples (CCSD(T)). Merging the B3LYP results with the G2(MP2) approach is also considered. It is found that replacing the geometry optimization and calculation of the zero-point energy by the analogous quantities computed using the B3LYP approach reduces the maximum error in the G2(MP2) approach. In addition to the 55 G2 atomization energies, some results for transition metal containing systems will also be presented.

New Measurements of the Cosmic Background Radiation Spectrum

DOE R&D Accomplishments Database

Smoot, G. F.; De Amici, G.; Levin, S.; Witebsky, C.

This pamphlet traces the history of the US Atomic Energy Commission's twenty-eight year stewardship of the Nation's nuclear energy program, from the signing of the Atomic Energy Act on August 1, 1946 to the signing of the Energy Reorganization Act on October 11, 1974. The Commission's early concentration on the military atom produced sophisticated nuclear weapons for the Nation's defense and made possible the creation of a fleet of nuclear submarines and surface ships. Extensive research in the nuclear sciences resulted in the widespread application of nuclear technology for scientific, medical and industrial purposes, while the passage of the Atomic Energy Act of 1954 made possible the development of a nuclear industry, and enabled the United States to share the new technology with other nations.

Energy Education in Brazil.

ERIC Educational Resources Information Center

Messick, Rosemary; de Paiva, Terezhina Villela O'Grady

1980-01-01

Compares energy education in Brazil and the United States. Topics discussed include the Brazilian setting, government initiatives, dependence on foreign fuel sources, public reaction, schools and energy education, and mass media involvement. (DB)

12. Architectural Floor Plans, 233S, U.S. Atomic Energy Commission, Hanford ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

12. Architectural Floor Plans, 233-S, U.S. Atomic Energy Commission, Hanford Atomic Products Operations, General Electric Company, Dwg. H-2-30464, 1956. - Reduction-Oxidation Complex, Plutonium Concentration Facility, 200 West Area, Richland, Benton County, WA

11. Architectural ELevations & Sections, 233S, U.S. Atomic Energy Commission, ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

11. Architectural ELevations & Sections, 233-S, U.S. Atomic Energy Commission, Hanford Atomic Products Operations, General Electric Company, Dwg. No. H-2-30465, 1956. - Reduction-Oxidation Complex, Plutonium Concentration Facility, 200 West Area, Richland, Benton County, WA

Solar and Geothermal Energy: New Competition for the Atom

ERIC Educational Resources Information Center

Carter, Luther J.

1974-01-01

Describes new emphasis on research into solar and geothermal energy resources by governmental action and recent legislation and the decreased emphasis on atomic power in supplementing current energy shortages. (BR)

Experimental apparatus for overlapping a ground-state cooled ion with ultracold atoms

NASA Astrophysics Data System (ADS)

Meir, Ziv; Sikorsky, Tomas; Ben-shlomi, Ruti; Akerman, Nitzan; Pinkas, Meirav; Dallal, Yehonatan; Ozeri, Roee

2018-03-01

Experimental realizations of charged ions and neutral atoms in overlapping traps are gaining increasing interest due to their wide research application ranging from chemistry at the quantum level to quantum simulations of solid state systems. In this paper, we describe our experimental system in which we overlap a single ground-state cooled ion trapped in a linear Paul trap with a cloud of ultracold atoms such that both constituents are in the ?K regime. Excess micromotion (EMM) currently limits atom-ion interaction energy to the mK energy scale and above. We demonstrate spectroscopy methods and compensation techniques which characterize and reduce the ion's parasitic EMM energy to the ?K regime even for ion crystals of several ions. We further give a substantial review on the non-equilibrium dynamics which governs atom-ion systems. The non-equilibrium dynamics is manifested by a power law distribution of the ion's energy. We also give an overview on the coherent and non-coherent thermometry tools which can be used to characterize the ion's energy distribution after single to many atom-ion collisions.

10 CFR 780.52 - Notice and hearing.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Notice and hearing. 780.52 Section 780.52 Energy DEPARTMENT OF ENERGY PATENT COMPENSATION BOARD REGULATIONS Application for Royalties and Awards Under Section 157 of the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of...

10 CFR 780.52 - Notice and hearing.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Notice and hearing. 780.52 Section 780.52 Energy DEPARTMENT OF ENERGY PATENT COMPENSATION BOARD REGULATIONS Application for Royalties and Awards Under Section 157 of the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of...

10 CFR 780.52 - Notice and hearing.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Notice and hearing. 780.52 Section 780.52 Energy DEPARTMENT OF ENERGY PATENT COMPENSATION BOARD REGULATIONS Application for Royalties and Awards Under Section 157 of the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of...

10 CFR 780.51 - Form and content.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Form and content. 780.51 Section 780.51 Energy DEPARTMENT OF ENERGY PATENT COMPENSATION BOARD REGULATIONS Application for Royalties and Awards Under Section 157 of the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of...

10 CFR 780.51 - Form and content.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Form and content. 780.51 Section 780.51 Energy DEPARTMENT OF ENERGY PATENT COMPENSATION BOARD REGULATIONS Application for Royalties and Awards Under Section 157 of the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of...

10 CFR 780.51 - Form and content.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Form and content. 780.51 Section 780.51 Energy DEPARTMENT OF ENERGY PATENT COMPENSATION BOARD REGULATIONS Application for Royalties and Awards Under Section 157 of the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of...

10 CFR 780.51 - Form and content.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Form and content. 780.51 Section 780.51 Energy DEPARTMENT OF ENERGY PATENT COMPENSATION BOARD REGULATIONS Application for Royalties and Awards Under Section 157 of the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of...

10 CFR 780.51 - Form and content.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Form and content. 780.51 Section 780.51 Energy DEPARTMENT OF ENERGY PATENT COMPENSATION BOARD REGULATIONS Application for Royalties and Awards Under Section 157 of the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of...

10 CFR 780.52 - Notice and hearing.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Notice and hearing. 780.52 Section 780.52 Energy DEPARTMENT OF ENERGY PATENT COMPENSATION BOARD REGULATIONS Application for Royalties and Awards Under Section 157 of the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of...

10 CFR 780.52 - Notice and hearing.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Notice and hearing. 780.52 Section 780.52 Energy DEPARTMENT OF ENERGY PATENT COMPENSATION BOARD REGULATIONS Application for Royalties and Awards Under Section 157 of the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of...

Effective Atomic Number, Mass Attenuation Coefficient Parameterization, and Implications for High-Energy X-Ray Cargo Inspection Systems

NASA Astrophysics Data System (ADS)

Langeveld, Willem G. J.

The most widely used technology for the non-intrusive active inspection of cargo containers and trucks is x-ray radiography at high energies (4-9 MeV). Technologies such as dual-energy imaging, spectroscopy, and statistical waveform analysis can be used to estimate the effective atomic number (Zeff) of the cargo from the x-ray transmission data, because the mass attenuation coefficient depends on energy as well as atomic number Z. The estimated effective atomic number, Zeff, of the cargo then leads to improved detection capability of contraband and threats, including special nuclear materials (SNM) and shielding. In this context, the exact meaning of effective atomic number (for mixtures and compounds) is generally not well-defined. Physics-based parameterizations of the mass attenuation coefficient have been given in the past, but usually for a limited low-energy range. Definitions of Zeff have been based, in part, on such parameterizations. Here, we give an improved parameterization at low energies (20-1000 keV) which leads to a well-defined Zeff. We then extend this parameterization up to energies relevant for cargo inspection (10 MeV), and examine what happens to the Zeff definition at these higher energies.

Alternative Fuels Data Center

Science.gov Websites

transformational technologies that reduce the nation's dependence on foreign energy imports; reduce U.S. energy ; and ensure that the United States maintains its leadership in developing and deploying advanced energy

Low cost estimation of the contribution of post-CCSD excitations to the total atomization energy using density functional theory calculations

NASA Astrophysics Data System (ADS)

Sánchez, H. R.; Pis Diez, R.

2016-04-01

Based on the Aλ diagnostic for multireference effects recently proposed [U.R. Fogueri, S. Kozuch, A. Karton, J.M. Martin, Theor. Chem. Acc. 132 (2013) 1], a simple method for improving total atomization energies and reaction energies calculated at the CCSD level of theory is proposed. The method requires a CCSD calculation and two additional density functional theory calculations for the molecule. Two sets containing 139 and 51 molecules are used as training and validation sets, respectively, for total atomization energies. An appreciable decrease in the mean absolute error from 7-10 kcal mol-1 for CCSD to about 2 kcal mol-1 for the present method is observed. The present method provides atomization energies and reaction energies that compare favorably with relatively recent scaled CCSD methods.

Kinetic-Energy Distribution of D(2p) Atoms from Analysis of the D Lyman-Alpha Line Profile

NASA Technical Reports Server (NTRS)

Ciocca, M.; Ajello, Joseph M.; Liu, Xianming; Maki, Justin

1997-01-01

The kinetic-energy distribution of D(2p) atoms resulting from electron-impact dissociation of D2 has been measured. A high-resolution vacuum ultraviolet spectrometer was employed for the first measurement of the D Lyman-alpha (D L(alpha)) emission line profiles at 20- and 100-eV excitation energies. Analysis of the deconvoluted line profile of D L(alpha) at 100 eV reveals the existence of a narrow line central peak of 29+/-2 mA full width at half maximum and a broad pedestal wing structure about 190 mA wide. The wings of the line can be used to determine the fast atom distribution. The wings of D L(alpha) arise from dissociative excitation of a series of doubly excited states that cross the Franck-Condon region between 23 and 40 eV. The fast atom distribution at 100-eV electron impact energy spans the energy range from 1 to 10 eV with a peak value near 6 eV. Slow D(2p) atoms characterized by a distribution function with peak energy near 100 meV produce the central peak profile, which is nearly independent of the impact energy. The deconvoluted line profiles of the central peak at 20 eV for dissociative excitation of D2 and H2 are fitted with an analytical function for use in calibration of space flight instrumentation equipped with a D/H absorption cell. The kinetic-energy and line profile results are compared to similar measurements for H2. The absolute cross sections for the line center (slow atoms) and wings (fast atoms) and total emission line profile were measured from threshold to 400 eV. Analytical model coefficients are given for the energy dependence of the measured slow atom cross section.

A Bibliography of Basic Books on Atomic Energy, A World of the Atom Series Booklet.

ERIC Educational Resources Information Center

Atomic Energy Commission, Washington, DC.

This booklet in the "World of the Atom" Series replaces the earlier Books on Atomic Energy for Adults and Children. It includes annotated bibliographies for children (grade level indicated) and adults. Over 60 books are classed as elementary and over 70 as advanced. These are alphabetized by title and also indexed by author. A list of…

ITFITS model for vibration--translation energy partitioning in atom-- polyatomic molecule collisions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shobatake, K.; Rice, S.A.; Lee, Y.T.

1973-09-01

A model for vibration-translation energy partitioning in the collinear collision of an atom and an axially symmetric polyatonaic molecule is proposed. The model is based on an extension of the ideas of Mahan and Heidrich, Wilson, and Rapp. Comparison of energy transfers computed from classical trajesctory calculations and the model proposed indicate good agreement when the mass of the free atom is small relative to the mass of the bound atom it strikes. The agreement is less satisfactory when that mass ratio becomes large. (auth)

75 FR 23563 - Delegation of Certain Functions Under Section 104(g) of the United States-India Peaceful Atomic...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-04

... Certain Functions Under Section 104(g) of the United States-India Peaceful Atomic Energy Cooperation Act... President by section 104(g) of the United States-India Peaceful Atomic Energy Cooperation Act of 2006...

The Scales of Time, Length, Mass, Energy, and Other Fundamental Physical Quantities in the Atomic World and the Use of Atomic Units in Quantum Mechanical Calculations

ERIC Educational Resources Information Center

Teo, Boon K.; Li, Wai-Kee

2011-01-01

This article is divided into two parts. In the first part, the atomic unit (au) system is introduced and the scales of time, space (length), and speed, as well as those of mass and energy, in the atomic world are discussed. In the second part, the utility of atomic units in quantum mechanical and spectroscopic calculations is illustrated with…

Understanding the physics and chemistry of reaction mechanisms from atomic contributions: a reaction force perspective.

PubMed

Vöhringer-Martinez, Esteban; Toro-Labbé, Alejandro

2012-07-12

Studying chemical reactions involves the knowledge of the reaction mechanism. Despite activation barriers describing the kinetics or reaction energies reflecting thermodynamic aspects, identifying the underlying physics and chemistry along the reaction path contributes essentially to the overall understanding of reaction mechanisms, especially for catalysis. In the past years the reaction force has evolved as a valuable tool to discern between structural changes and electrons' rearrangement in chemical reactions. It provides a framework to analyze chemical reactions and additionally a rational partition of activation and reaction energies. Here, we propose to separate these energies further in atomic contributions, which will shed new insights in the underlying reaction mechanism. As first case studies we analyze two intramolecular proton transfer reactions. Despite the atom based separation of activation barriers and reaction energies, we also assign the participation of each atom in structural changes or electrons' rearrangement along the intrinsic reaction coordinate. These participations allow us to identify the role of each atom in the two reactions and therfore the underlying chemistry. The knowledge of the reaction chemistry immediately leads us to suggest replacements with other atom types that would facilitate certain processes in the reaction. The characterization of the contribution of each atom to the reaction energetics, additionally, identifies the reactive center of a molecular system that unites the main atoms contributing to the potential energy change along the reaction path.

Engineering topological superconductors using surface atomic-layer/molecule hybrid materials

NASA Astrophysics Data System (ADS)

Uchihashi, Takashi

2015-08-01

Surface atomic-layer (SAL) superconductors consisting of epitaxially grown metal adatoms on a clean semiconductor surface have been recently established. Compared to conventional metal thin films, they have two important features: (i) space-inversion symmetry-breaking throughout the system and (ii) high sensitivity to surface adsorption of foreign species. These potentially lead to manifestation of the Rashba effect and a Zeeman field exerted by adsorbed magnetic organic molecules. After introduction of the archetypical SAL superconductor Si(111)-(√7 × √3)-In, we describe how these features are utilized to engineer a topological superconductor with Majorana fermions and discuss its promises and expected challenges.

Unfavorable regions in the ramachandran plot: Is it really steric hindrance? The interacting quantum atoms perspective

PubMed Central

Maxwell, Peter I.

2017-01-01

Accurate description of the intrinsic preferences of amino acids is important to consider when developing a biomolecular force field. In this study, we use a modern energy partitioning approach called Interacting Quantum Atoms to inspect the cause of the φ and ψ torsional preferences of three dipeptides (Gly, Val, and Ile). Repeating energy trends at each of the molecular, functional group, and atomic levels are observed across both (1) the three amino acids and (2) the φ/ψ scans in Ramachandran plots. At the molecular level, it is surprisingly electrostatic destabilization that causes the high‐energy regions in the Ramachandran plot, not molecular steric hindrance (related to the intra‐atomic energy). At the functional group and atomic levels, the importance of key peptide atoms (Oi –1, Ci, Ni, Ni +1) and some sidechain hydrogen atoms (Hγ) are identified as responsible for the destabilization seen in the energetically disfavored Ramachandran regions. Consistently, the Oi –1 atoms are particularly important for the explanation of dipeptide intrinsic behavior, where electrostatic and steric destabilization unusually complement one another. The findings suggest that, at least for these dipeptides, it is the peptide group atoms that dominate the intrinsic behavior, more so than the sidechain atoms. © 2017 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. PMID:28841241

Direct writing on graphene 'paper' by manipulating electrons as 'invisible ink'.

PubMed

Zhang, Wei; Zhang, Qiang; Zhao, Meng-Qiang; Kuhn, Luise Theil

2013-07-12

The combination of self-assembly (bottom up) and nano-imprint lithography (top down) is an efficient and effective way to record information at the nanoscale by writing. The use of an electron beam for writing is quite a promising strategy; however, the 'paper' on which to save the information is not yet fully realized. Herein, graphene was selected as the thinnest paper for recording information at the nanoscale. In a transmission electron microscope, in situ high precision writing and drawing were achieved on graphene nanosheets by manipulating electrons with a 1 nm probe (probe current ~2 × 10(-9) A m(-2)) in scanning transmission electron microscopy (STEM) mode. Under electron probe irradiation, the carbon atom tends to displace within a crystalline specimen, and dangling bonds are formed from the original sp(2) bonding after local carbon atoms have been kicked off. The absorbed random foreign amorphous carbon assembles along the line of the scanning direction induced by secondary electrons and is immobilized near the edge. With the ultralow secondary electron yield of the graphene, additional foreign atoms determining the accuracy of the pattern have been greatly reduced near the targeting region. Therefore, the electron probe in STEM mode serves as invisible ink for nanoscale writing and drawing. These results not only shed new light on the application of graphene by the interaction of different forms of carbon, but also illuminate the interaction of different carbon forms through electron beams.

Laser sustained discharge nozzle apparatus for the production of an intense beam of high kinetic energy atomic species

DOEpatents

Cross, Jon B.; Cremers, David A.

1988-01-01

Laser sustained discharge apparatus for the production of intense beams of high kinetic energy atomic species. A portion of the plasma resulting from a laser sustained continuous optical discharge which generates energetic atomic species from a gaseous source thereof is expanded through a nozzle into a region of low pressure. The expanded plasma contains a significant concentration of the high kinetic energy atomic species which may be used to investigate the interaction of surfaces therewith. In particular, O-atoms having velocities in excess of 3.5 km/s can be generated for the purpose of studying their interaction with materials in order to develop protective materials for spacecraft which are exposed to such energetic O-atoms during operation in low earth orbit.

Laser sustained discharge nozzle apparatus for the production of an intense beam of high kinetic energy atomic species

DOEpatents

Cross, J.B.; Cremers, D.A.

1986-01-10

Laser sustained discharge apparatus for the production of intense beams of high kinetic energy atomic species is described. A portion of the plasma resulting from a laser sustained continuous optical discharge which generates energetic atomic species from a gaseous source thereof is expanded through a nozzle into a region of low pressure. The expanded plasma contains a significant concentration of the high kinetic energy atomic species which may be used to investigate the interaction of surfaces therewith. In particular, O-atoms having velocities in excess of 3.5 km/s can be generated for the purpose of studying their interaction with materials in order to develop protective materials for spacecraft which are exposed to such energetic O-atoms during operation in low earth orbit.

10 CFR Appendix A to Subpart A of... - Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141 (42 U.S.C. 2161), Sec...

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141 (42 U.S.C. 2161), Sec. 145 (42 U.S.C. 2165), Sec. 161 (42 U.S.C. 2201) A Appendix A to... to Subpart A of Part 710—Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141...

10 CFR Appendix A to Subpart A of... - Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141 (42 U.S.C. 2161), Sec...

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141 (42 U.S.C. 2161), Sec. 145 (42 U.S.C. 2165), Sec. 161 (42 U.S.C. 2201) A Appendix A to... to Subpart A of Part 710—Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141...

10 CFR Appendix A to Subpart A of... - Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141 (42 U.S.C. 2161), Sec...

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141 (42 U.S.C. 2161), Sec. 145 (42 U.S.C. 2165), Sec. 161 (42 U.S.C. 2201) A Appendix A to... to Subpart A of Part 710—Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141...

10 CFR Appendix A to Subpart A of... - Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141 (42 U.S.C. 2161), Sec...

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141 (42 U.S.C. 2161), Sec. 145 (42 U.S.C. 2165), Sec. 161 (42 U.S.C. 2201) A Appendix A to... to Subpart A of Part 710—Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141...

10 CFR Appendix A to Subpart A of... - Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141 (42 U.S.C. 2161), Sec...

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141 (42 U.S.C. 2161), Sec. 145 (42 U.S.C. 2165), Sec. 161 (42 U.S.C. 2201) A Appendix A to... to Subpart A of Part 710—Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141...

Heavy Atom Vibrational Modes and Low-Energy Vibrational Autodetachment in Nitromethane Anions

NASA Astrophysics Data System (ADS)

Thompson, Michael C.; Baraban, Joshua H.; Stanton, John F.; Weber, J. Mathias

2015-06-01

We use Ar predissociation and vibrational autodetachment below 2100 wn to obtain vibrational spectra of the low-energy modes of nitromethane anion. We interpret the spectra using anharmonic calculations, which reveal strong mode coupling and Fermi resonances. Not surprisingly, the number of evaporated Ar atoms varies with photon energy, and we follow the propensity of evaporating two versus one Ar atoms as photon energy increases. The photodetachment spectrum is discussed in the context of threshold effects and the importance of hot bands.

Czochralski growth of LaPd2Al2 single crystals

NASA Astrophysics Data System (ADS)

Doležal, P.; Rudajevová, A.; Vlášková, K.; Kriegner, D.; Václavová, K.; Prchal, J.; Javorský, P.

2017-10-01

The present study is focused on the preparation of single crystalline LaPd2Al2 by the Czochralski method. Differential scanning calorimetry (DSC) and energy dispersive X-ray spectroscopy (EDX) analyses reveal that LaPd2Al2 is an incongruently melting phase which causes difficulties for the preparation of single crystalline LaPd2Al2 by the Czochralski method. Therefore several non-stoichiometric polycrystalline samples were studied for its preparation. Finally the successful growth of LaPd2Al2 without foreign phases has been achieved by using a non-stoichiometric precursor with atomic composition 22:39:39 (La:Pd:Al). X-ray powder diffraction, EDX analysis and DSC were used for the characterisation. A single crystalline sample was separated from the ingot prepared by the Czochralski method using the non-stoichiometric precursor. The presented procedure for the preparation of pure single phase LaPd2Al2 could be modified for other incongruently melting phases.

Sensing Atomic Motion from the Zero Point to Room Temperature with Ultrafast Atom Interferometry.

PubMed

Johnson, K G; Neyenhuis, B; Mizrahi, J; Wong-Campos, J D; Monroe, C

2015-11-20

We sense the motion of a trapped atomic ion using a sequence of state-dependent ultrafast momentum kicks. We use this atom interferometer to characterize a nearly pure quantum state with n=1 phonon and accurately measure thermal states ranging from near the zero-point energy to n[over ¯]~10^{4}, with the possibility of extending at least 100 times higher in energy. The complete energy range of this method spans from the ground state to far outside of the Lamb-Dicke regime, where atomic motion is greater than the optical wavelength. Apart from thermometry, these interferometric techniques are useful for characterizing ultrafast entangling gates between multiple trapped ions.

A Variational Monte Carlo Approach to Atomic Structure

ERIC Educational Resources Information Center

Davis, Stephen L.

2007-01-01

The practicality and usefulness of variational Monte Carlo calculations to atomic structure are demonstrated. It is found to succeed in quantitatively illustrating electron shielding, effective nuclear charge, l-dependence of the orbital energies, and singlet-tripetenergy splitting and ionization energy trends in atomic structure theory.

Anisotropic interaction and stereoreactivity in a chemi-ionization process of OCS by collision with He*(2(3)S) metastable atoms.

PubMed

Horio, Takuya; Maeda, Satoshi; Kishimoto, Naoki; Ohno, Koichi

2006-09-28

Ionic-state-resolved collision energy dependence of Penning ionization cross sections for OCS with He*(2(3)S) metastable atoms was measured in a wide collision energy range from 20 to 350 meV. Anisotropic interaction potential for the OCS-He*(2(3)S) system was obtained by comparison of the experimental data with classical trajectory simulations. It has been found that attractive potential wells around the O and S atoms are clearly different in their directions. Around the O atom, the collinear approach is preferred (the well depth is ca. 90 meV), while the perpendicular approach is favored around the S atom (the well depth is ca. 40 meV). On the basis of the optimized potential energy surface and theoretical simulations, stereo reactivity around the O and S atoms was also investigated. The results were discussed in terms of anisotropy of the potential energy surface and the electron density distribution of molecular orbitals to be ionized.

Method and apparatus for atomic imaging

DOEpatents

Saldin, Dilano K.; de Andres Rodriquez, Pedro L.

1993-01-01

A method and apparatus for three dimensional imaging of the atomic environment of disordered adsorbate atoms are disclosed. The method includes detecting and measuring the intensity of a diffuse low energy electron diffraction pattern formed by directing a beam of low energy electrons against the surface of a crystal. Data corresponding to reconstructed amplitudes of a wave form is generated by operating on the intensity data. The data corresponding to the reconstructed amplitudes is capable of being displayed as a three dimensional image of an adsorbate atom. The apparatus includes a source of a beam of low energy electrons and a detector for detecting the intensity distribution of a DLEED pattern formed at the detector when the beam of low energy electrons is directed onto the surface of a crystal. A device responsive to the intensity distribution generates a signal corresponding to the distribution which represents a reconstructed amplitude of a wave form and is capable of being converted into a three dimensional image of the atomic environment of an adsorbate atom on the crystal surface.

Energy Levels and Spectral Lines of Li Atoms in White Dwarf Strength Magnetic Fields

NASA Astrophysics Data System (ADS)

Zhao, L. B.

2018-04-01

A theoretical approach based on B-splines has been developed to calculate atomic structures and discrete spectra of Li atoms in a strong magnetic field typical of magnetic white dwarf stars. Energy levels are presented for 20 electronic states with the symmetries 20+, 20‑, 2(‑1)+, 2(‑1)‑, and 2(‑2)+. The magnetic field strengths involved range from 0 to 2350 MG. The wavelengths and oscillator strengths for the electric dipole transitions relevant to these magnetized atomic states are reported. The current results are compared to the limited theoretical data in the literature. A good agreement has been found for the lower energy levels, but a significant discrepancy is clearly visible for the higher energy levels. The existing discrepancies of the wavelengths and oscillator strengths are also discussed. Our investigation shows that the spectrum data of magnetized Li atoms previously published are obviously far from meeting requirements of analyzing discrete atomic spectra of magnetic white dwarfs with lithium atmospheres.

Heliospheric Neutral Atom Spectra Between 0.01 and 6 keV fom IBEX

NASA Technical Reports Server (NTRS)

Fuselier, S. A.; Allegrini, F.; Bzowski, M.; Funsten, H. O.; Ghielmetti, A. G.; Gloeckler, G.; Heirtzler, D.; Janzen, P.; Kubiak, M.; Kucharek, H.;

High quality Gaussian basis sets for fourth-row atoms

NASA Technical Reports Server (NTRS)

Partridge, Harry; Faegri, Knut, Jr.

1992-01-01

Energy optimized Gaussian basis sets of triple-zeta quality for the atoms Rb-Xe have been derived. Two series of basis sets are developed: (24s 16p 10d) and (26s 16p 10d) sets which were expanded to 13d and 19p functions as the 4d and 5p shells become occupied. For the atoms lighter than Cd, the (24s 16p 10d) sets with triple-zeta valence distributions are higher in energy than the corresponding double-zeta distribution. To ensure a triple-zeta distribution and a global energy minimum, the (26s 16p 10d) sets were derived. Total atomic energies from the largest basis sets are between 198 and 284 (mu)E(sub H) above the numerical Hartree-Fock energies.

Energetic Metastable Oxygen and Nitrogen Atoms in the Terrestrial Atmosphere

NASA Technical Reports Server (NTRS)

Kharchenko, Vasili; Dalgarno, A.

2005-01-01

This report summarizes our research performed under NASA Grant NAG5-11857. The three-year grant have been supported by the Geospace Sciences SR&T program. We have investigated the energetic metastable oxygen and nitrogen atoms in the terrestrial stratosphere, mesosphere and thermosphere. Hot atoms in the atmosphere are produced by solar radiation, the solar wind and various ionic reactions. Nascent hot atoms arise in ground and excited electronic states, and their translational energies are larger by two - three orders of magnitude than the thermal energies of the ambient gas. The relaxation kinetics of hot atoms determines the rate of atmospheric heating, the intensities of aeronomic reactions, and the rate of atom escape from the planet. Modeling of the non-Maxwellian energy distributions of metastable oxygen and nitrogen atoms have been focused on the determination of their impact on the energetics and chemistry of the terrestrial atmosphere between 25 and 250 km . At this altitudes, we have calculated the energy distribution functions of metastable O and N atoms and computed non-equilibrium rates of important aeronomic reactions, such as destruction of the water molecules by O(1D) atoms and production of highly excited nitric oxide molecules. In the upper atmosphere, the metastable O(lD) and N(2D) play important role in formation of the upward atomic fluxes. We have computed the upward fluxes of the metastable and ground state oxygen atoms in the upper atmosphere above 250 km. The accurate distributions of the metastable atoms have been evaluated for the day and night-time conditions.

REVIEWS OF TOPICAL PROBLEMS: lonization and quenching of excited atoms with the production of fast electrons

NASA Astrophysics Data System (ADS)

Kolokolov, N. B.; Blagoev, A. B.

1993-03-01

Studies of reactions involving excited atoms, which result in the release of electrons with energies exceeding the mean plasma electron energy, are reviewed. Particular attention is devoted to plasma electron spectroscopy (PES) which combines the advantages of studies of elementary plasma processes with those of traditional electron spectroscopy. Data obtained by investigating the following reactions are reported: chemoionization with the participation of two excited inert-gas atoms, Penning ionization of atoms and molecules by metastable helium atoms, and electron quenching of excited inert-gas atoms and mercury atoms. The effect of processes in which fast electrons are emitted on plasma properties is discussed.

Learning molecular energies using localized graph kernels

DOE PAGES

Ferré, Grégoire; Haut, Terry Scot; Barros, Kipton Marcos

2017-03-21

We report that recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturallymore » incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. Finally, we benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.« less

Quantized evaporation from liquid helium

NASA Astrophysics Data System (ADS)

Baird, M. J.; Hope, F. R.; Wyatt, A. F. G.

1983-07-01

The atomic-level kinetics of evaporation from a liquid surface are investigated experimentally for the case of liquid He-4. A pulse of phonons was injected by a submerged thin-film heater into purified He-4 (cooled to less than about 0.1 K) and collimated into a beam directed at the liquid surface; the atoms liberated at the surface were detected by a bolometer. The energy of the incident phonon and the kinetic energy of the liberated atom were calculated by determining the group velocity (from the minimum time elapsed between the beginning of the heater pulse and the arrival of the leading edge of the signal) and combining it with neutron-measured excitation dispersion data. Measurements were also made with a mixture of He-3 and He-4. The results are shown to be in good agreement with theoretical predictions of the phonon-induced quantum evaporation of surface atoms: the energy of the phonon is divided between the kinetic energy of the liberated atom and the energy required to overcome the binding forces.

Learning molecular energies using localized graph kernels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ferré, Grégoire; Haut, Terry Scot; Barros, Kipton Marcos

We report that recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturallymore » incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. Finally, we benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.« less

Influence of Parameters of a Reactive Interatomic Potential on the Properties of Saturated Hydrocarbons

DTIC Science & Technology

2017-01-01

Methodology 3 2.1 Modified Embedded-Atom Method Theory 3 2.1.1 Embedding Energy Function 3 2.1.2 Screening Factor 8 2.1.3 Modified Embedded-Atom...Simulation Methodology 2.1 Modified Embedded-Atom Method Theory In the EAM and MEAM formalisms1,2,5 the total energy of a system of atoms (Etot) is...An interatomic potential for saturated hydrocarbons using the modified embedded-atom method (MEAM), a semiempirical many-body potential based on

In situ disordering of monoclinic titanium monoxide Ti5O5 studied by transmission electron microscope TEM.

PubMed

Rempel, А А; Van Renterghem, W; Valeeva, А А; Verwerft, M; Van den Berghe, S

2017-09-07

The superlattice and domain structures exhibited by ordered titanium monoxide Ti 5 O 5 are disrupted by low energy electron beam irradiation. The effect is attributed to the disordering of the oxygen and titanium sublattices. This disordering is caused by the displacement of both oxygen and titanium atoms by the incident electrons and results in a phase transformation of the monoclinic phase Ti 5 O 5 into cubic B1 titanium monoxide. In order to determine the energies required for the displacement of titanium or oxygen atoms, i.e. threshold displacement energies, a systematic study of the disappearance of superstructure reflections with increasing electron energy and electron bombardment dose has been performed in situ in a transmission electron microscope (TEM). An incident electron energy threshold between 120 and 140 keV has been observed. This threshold can be ascribed to the displacements of titanium atoms with 4 as well as with 5 oxygen atoms as nearest neighbors. The displacement threshold energy of titanium atoms in Ti 5 O 5 corresponding with the observed incident electron threshold energy lies between 6.0 and 7.5 eV. This surprisingly low value can be explained by the presence of either one or two vacant oxygen lattice sites in the nearest neighbors of all titanium atoms.

Atomic oxygen beam source for erosion simulation

NASA Technical Reports Server (NTRS)

Cuthbertson, J. W.; Langer, W. D.; Motley, R. W.; Vaughn, J. A.

1991-01-01

A device for the production of low energy (3 to 10 eV) neutral atomic beams for surface modification studies is described that reproduces the flux of atomic oxygen in low Earth orbit. The beam is produced by the acceleration of plasma ions onto a negatively biased plate of high-Z metal; the ions are neutralized and reflected by the surface, retaining some fraction of their incident kinetic energy, forming a beam of atoms. The plasma is generated by a coaxial RF exciter which produces a magnetically-confined (4 kG) plasma column. At the end of the column, ions fall through the sheath to the plate, whose bias relative to the plasma can be varied to adjust the beam energy. The source provides a neutral flux approximately equal to 5 x 10(exp 16)/sq cm at a distance of 9 cm and a fluence approximately equal to 10(exp 20)/sq cm in five hours. The composition and energy of inert gas beams was diagnosed using a mass spectometer/energy analyzer. The energy spectra of the beams demonstrate energies in the range 5 to 15 eV, and qualitatively show expected dependences upon incident and reflecting atom species and potential drop. Samples of carbon film, carbon-based paint, Kapton, mylar, and teflon exposed to atomic O beams show erosion quite similar to that observed in orbit on the space shuttle.

A Molecular Dynamics of Cold Neutral Atoms Captured by Carbon Nanotube Under Electric Field and Thermal Effect as a Selective Atoms Sensor.

PubMed

Santos, Elson C; Neto, Abel F G; Maneschy, Carlos E; Chen, James; Ramalho, Teodorico C; Neto, A M J C

2015-05-01

Here we analyzed several physical behaviors through computational simulation of systems consisting of a zig-zag type carbon nanotube and relaxed cold atoms (Rb, Au, Si and Ar). These atoms were chosen due to their different chemical properties. The atoms individually were relaxed on the outside of the nanotube during the simulations. Each system was found under the influence of a uniform electric field parallel to the carbon nanotube and under the thermal effect of the initial temperature at the simulations. Because of the electric field, the cold atoms orbited the carbon nanotube while increasing the initial temperature allowed the variation of the radius of the orbiting atoms. We calculated the following quantities: kinetic energy, potential energy and total energy and in situ temperature, molar entropy variation and average radius of the orbit of the atoms. Our data suggest that only the action of electric field is enough to generate the attractive potential and this system could be used as a selected atoms sensor.

Kinetic Energy Distribution of H(2p) Atoms from Dissociative Excitation of H2

NASA Technical Reports Server (NTRS)

Ajello, Joseph M.; Ahmed, Syed M.; Kanik, Isik; Multari, Rosalie

1995-01-01

The kinetic energy distribution of H(2p) atoms resulting from electron impact dissociation of H2 has been measured for the first time with uv spectroscopy. A high resolution uv spectrometer was used for the measurement of the H Lyman-alpha emission line profiles at 20 and 100 eV electron impact energies. Analysis of the deconvolved 100 eV line profile reveals the existence of a narrow line peak and a broad pedestal base. Slow H(2p) atoms with peak energy near 80 meV produce the peak profile, which is nearly independent of impact energy. The wings of H Lyman-alpha arise from dissociative excitation of a series of doubly excited Q(sub 1) and Q(sub 2) states, which define the core orbitals. The fast atom energy distribution peaks at 4 eV.

Impact-parameter dependence of the energy loss of fast molecular clusters in hydrogen

NASA Astrophysics Data System (ADS)

Fadanelli, R. C.; Grande, P. L.; Schiwietz, G.

2008-03-01

The electronic energy loss of molecular clusters as a function of impact parameter is far less understood than atomic energy losses. For instance, there are no analytical expressions for the energy loss as a function of impact parameter for cluster ions. In this work, we describe two procedures to evaluate the combined energy loss of molecules: Ab initio calculations within the semiclassical approximation and the coupled-channels method using atomic orbitals; and simplified models for the electronic cluster energy loss as a function of the impact parameter, namely the molecular perturbative convolution approximation (MPCA, an extension of the corresponding atomic model PCA) and the molecular unitary convolution approximation (MUCA, a molecular extension of the previous unitary convolution approximation UCA). In this work, an improved ansatz for MPCA is proposed, extending its validity for very compact clusters. For the simplified models, the physical inputs are the oscillators strengths of the target atoms and the target-electron density. The results from these models applied to an atomic hydrogen target yield remarkable agreement with their corresponding ab initio counterparts for different angles between cluster axis and velocity direction at specific energies of 150 and 300 keV/u.

Coupled electronic and atomic effects on defect evolution in silicon carbide under ion irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yanwen; Xue, Haizhou; Zarkadoula, Eva

Understanding energy dissipation processes in electronic/atomic subsystems and subsequent non-equilibrium defect evolution is a long-standing challenge in materials science. In the intermediate energy regime, energetic particles simultaneously deposit a significant amount of energy to both electronic and atomic subsystems of silicon carbide (SiC). Here we show that defect evolution in SiC closely depends on the electronic-to-nuclear energy loss ratio (S e/S n), nuclear stopping powers ( dE/dx nucl), electronic stopping powers ( dE/dx ele), and the temporal and spatial coupling of electronic and atomic subsystem for energy dissipation. The integrated experiments and simulations reveal that: (1) increasing S e/S nmore » slows damage accumulation; (2) the transient temperatures during the ionization-induced thermal spike increase with dE/dx ele, which causes efficient damage annealing along the ion trajectory; and (3) for more condensed displacement damage within the thermal spike, damage production is suppressed due to the coupled electronic and atomic dynamics. Ionization effects are expected to be more significant in materials with covalent/ionic bonding involving predominantly well-localized electrons. Here, insights into the complex electronic and atomic correlations may pave the way to better control and predict SiC response to extreme energy deposition« less

Resonance dispersion interaction of alkali metal atoms in Rydberg states

NASA Astrophysics Data System (ADS)

Kamenski, A. A.; Mokhnenko, S. N.; Ovsyannikov, V. D.

2017-06-01

With the use of second-order perturbation theory in the long-range interatomic interaction for the degenerate states of two Rydberg atoms we have obtained a general formula for the dependence of atomic interaction energy on the interatomic distance R in the presence of the Förster resonance. Inside of the ‘Förster sphere’ (R < RF) this dependence transforms to the formula for electric dipole interaction energy ΔEd - d = C3/R3 and for R > RF it transforms to the formula for the van der Waals interaction energy ΔEVdW = -C6/R6. The van der Waals constant C6 is represented as an expansion in terms of irreducible components which define the dependence on the interatomic axis orientation relative to the quantisation axis of projections M of the total angular momentum J. The numerical values of the irreducible components of tensor C6 were calculated for rubidium atoms in the same Rydberg states |nlJM> with large quantum numbers n. We present the calculated resonance interaction energy of two rubidium atoms in the states |43D5/2M>, whose total energy exceeds by only 8 MHz the total energy of one of the atoms in the state |45P3/2M> and of the other in the state |41F7/2M>.

Atomic- and Device-Scale Physics of Ion-Transport Memristors

DTIC Science & Technology

2017-02-02

ASSIGNED DISTRIBUTION STATEMENT. //SIGNED// //SIGNED// ARTHUR EDWARDS DAVID CARDIMONA Program Manager Technical Advisor, Space Based Advanced...in the interest of scientific and technical information exchange, and its publication does not constitute the Government’s approval or disapproval...is available to the general public, including foreign nationals. Copies may be obtained from the Defense Technical Information Center (DTIC) (http://www.dtic.mil).

Surface conversion techniques for low energy neutral atom imagers

NASA Technical Reports Server (NTRS)

Quinn, J. M.

1995-01-01

This investigation has focused on development of key technology elements for low energy neutral atom imaging. More specifically, we have investigated the conversion of low energy neutral atoms to negatively charged ions upon reflection from specially prepared surfaces. This 'surface conversion' technique appears to offer a unique capability of detecting, and thus imaging, neutral atoms at energies of 0.01 - 1 keV with high enough efficiencies to make practical its application to low energy neutral atom imaging in space. Such imaging offers the opportunity to obtain the first instantaneous global maps of macroscopic plasma features and their temporal variation. Through previous in situ plasma measurements, we have a statistical picture of large scale morphology and local measurements of dynamic processes. However, with in situ techniques it is impossible to characterize or understand many of the global plasma transport and energization processes. A series of global plasma images would greatly advance our understanding of these processes and would provide the context for interpreting previous and future in situ measurements. Fast neutral atoms, created from ions that are neutralized in collisions with exospheric neutrals, offer the means for remotely imaging plasma populations. Energy and mass analysis of these neutrals provides critical information about the source plasma distribution. The flux of neutral atoms available for imaging depends upon a convolution of the ambient plasma distribution with the charge exchange cross section for the background neutral population. Some of the highest signals are at relatively low energies (well below 1 keV). This energy range also includes some of the most important plasma populations to be imaged, for example the base of the cleft ion fountain.

Thermal motion in proteins: Large effects on the time-averaged interaction energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goethe, Martin, E-mail: martingoethe@ub.edu; Rubi, J. Miguel; Fita, Ignacio

As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but exhibit pronounced fluctuations. These fluctuations cause that time-averaged interaction energies do generally not coincide with the energy values obtained by evaluating the pair-potentials at the average distances. More precisely, time-averaged interaction energies behave typically smoother in terms of the average distance than the corresponding pair-potentials. This averaging effect is referred to as the thermal smoothing effect. Here, we estimate the strength of the thermal smoothingmore » effect on the Lennard-Jones pair-potential for globular proteins at ambient conditions using x-ray diffraction and simulation data of a representative set of proteins. For specific atom species, we find a significant smoothing effect where the time-averaged interaction energy of a single atom pair can differ by various tens of cal/mol from the Lennard-Jones potential at the average distance. Importantly, we observe a dependency of the effect on the local environment of the involved atoms. The effect is typically weaker for bulky backbone atoms in beta sheets than for side-chain atoms belonging to other secondary structure on the surface of the protein. The results of this work have important practical implications for protein software relying on free energy expressions. We show that the accuracy of free energy expressions can largely be increased by introducing environment specific Lennard-Jones parameters accounting for the fact that the typical thermal motion of protein atoms depends strongly on their local environment.« less

Thermal motion in proteins: Large effects on the time-averaged interaction energies

NASA Astrophysics Data System (ADS)

Goethe, Martin; Fita, Ignacio; Rubi, J. Miguel

2016-03-01

As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but exhibit pronounced fluctuations. These fluctuations cause that time-averaged interaction energies do generally not coincide with the energy values obtained by evaluating the pair-potentials at the average distances. More precisely, time-averaged interaction energies behave typically smoother in terms of the average distance than the corresponding pair-potentials. This averaging effect is referred to as the thermal smoothing effect. Here, we estimate the strength of the thermal smoothing effect on the Lennard-Jones pair-potential for globular proteins at ambient conditions using x-ray diffraction and simulation data of a representative set of proteins. For specific atom species, we find a significant smoothing effect where the time-averaged interaction energy of a single atom pair can differ by various tens of cal/mol from the Lennard-Jones potential at the average distance. Importantly, we observe a dependency of the effect on the local environment of the involved atoms. The effect is typically weaker for bulky backbone atoms in beta sheets than for side-chain atoms belonging to other secondary structure on the surface of the protein. The results of this work have important practical implications for protein software relying on free energy expressions. We show that the accuracy of free energy expressions can largely be increased by introducing environment specific Lennard-Jones parameters accounting for the fact that the typical thermal motion of protein atoms depends strongly on their local environment.

METHOD AND APPARATUS FOR TESTING THE PRESENCE OF SPECIFIC ATOMIC ELEMENTS IN A SUBSTANCE

DOEpatents

Putman, J.L.

1960-01-26

Detection of specific atomic elements in a substance and particularly the applicability to well logging are discussed. The principal novelty resides in the determination of several of the auxiliary energy peaks in addition to the main energy peak of the gamma-ray energy spectrum of a substance and comparison of such peaks to the spectrum of the specific atomic element being tested for. thus resulting in identification of same. The invention facilitates the identification of specific elements even when in the presence of other elements having similar gamma energy spectra as to the main energy peaks.

Enhanced production of low energy electrons by alpha particle impact

PubMed Central

Kim, Hong-Keun; Titze, Jasmin; Schöffler, Markus; Trinter, Florian; Waitz, Markus; Voigtsberger, Jörg; Sann, Hendrik; Meckel, Moritz; Stuck, Christian; Lenz, Ute; Odenweller, Matthias; Neumann, Nadine; Schössler, Sven; Ullmann-Pfleger, Klaus; Ulrich, Birte; Fraga, Rui Costa; Petridis, Nikos; Metz, Daniel; Jung, Annika; Grisenti, Robert; Czasch, Achim; Jagutzki, Ottmar; Schmidt, Lothar; Jahnke, Till; Schmidt-Böcking, Horst; Dörner, Reinhard

2011-01-01

Radiation damage to living tissue stems not only from primary ionizing particles but to a substantial fraction from the dissociative attachment of secondary electrons with energies below the ionization threshold. We show that the emission yield of those low energy electrons increases dramatically in ion–atom collisions depending on whether or not the target atoms are isolated or embedded in an environment. Only when the atom that has been ionized and excited by the primary particle impact is in immediate proximity of another atom is a fragmentation route known as interatomic Coulombic decay (ICD) enabled. This leads to the emission of a low energy electron. Over the past decade ICD was explored in several experiments following photoionization. Most recent results show its observation even in water clusters. Here we show the quantitative role of ICD for the production of low energy electrons by ion impact, thus approaching a scenario closer to that of radiation damage by alpha particles: We choose ion energies on the maximum of the Bragg peak where energy is most efficiently deposited in tissue. We compare the electron production after colliding He+ ions on isolated Ne atoms and on Ne dimers (Ne2). In the latter case the Ne atom impacted is surrounded by a most simple environment already opening ICD as a deexcitation channel. As a consequence, we find a dramatically enhanced low energy electron yield. The results suggest that ICD may have a significant influence on cell survival after exposure to ionizing radiation. PMID:21730184

Application of the Interacting Quantum Atoms Approach to the S66 and Ionic-Hydrogen-Bond Datasets for Noncovalent Interactions.

PubMed

Suárez, Dimas; Díaz, Natalia; Francisco, Evelio; Martín Pendás, Angel

2018-04-17

The interacting quantum atoms (IQA) method can assess, systematically and in great detail, the strength and physics of both covalent and noncovalent interactions. The lack of a pair density in density functional theory (DFT), which precludes the direct IQA decomposition of the characteristic exchange-correlation energy, has been recently overcome by means of a scaling technique, which can largely expand the applicability of the method. To better assess the utility of the augmented IQA methodology to derive quantum chemical decompositions at the atomic and molecular levels, we report the results of Hartree-Fock (HF) and DFT calculations on the complexes included in the S66 and the ionic H-bond databases of benchmark geometry and binding energies. For all structures, we perform single-point and geometry optimizations using HF and selected DFT methods with triple-ζ basis sets followed by full IQA calculations. Pairwise dispersion energies are accounted for by the D3 method. We analyze the goodness of the HF-D3 and DFT-D3 binding energies, the magnitude of numerical errors, the fragment and atomic distribution of formation energies, etc. It is shown that fragment-based IQA decomposes the formation energies in comparable terms to those of perturbative approaches and that the atomic IQA energies hold the promise of rigorously quantifying atomic and group energy contributions in larger biomolecular systems. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

78 FR 63975 - Notice of Effectiveness of Exempt Wholesale Generator or Foreign Utility Company Status

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-25

... Energy Inc FortisBC Energy (Vancouver Island) Inc. FortisBC Energy (Whistler) Inc... FortisBC Huntingdon Inc FortisBC Alternative Energy Services Inc. Fortis Generation East Limited FC13-11-000 Partnership... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission Notice of Effectiveness of Exempt...

The Materials Chemistry of Atomic Oxygen with Applications to Anisotropic Etching of Submicron Structures in Microelectronics and the Surface Chemistry Engineering of Porous Solids

NASA Technical Reports Server (NTRS)

Koontz, Steve L.; Leger, Lubert J.; Wu, Corina; Cross, Jon B.; Jurgensen, Charles W.

1994-01-01

Neutral atomic oxygen is the most abundant component of the ionospheric plasma in the low Earth orbit environment (LEO; 200 to 700 kilometers altitude) and can produce significant degradation of some spacecraft materials. In order to produce a more complete understanding of the materials chemistry of atomic oxygen, the chemistry and physics of O-atom interactions with materials were determined in three radically different environments: (1) The Space Shuttle cargo bay in low Earth orbit (the EOIM-3 space flight experiment), (2) a high-velocity neutral atom beam system (HVAB) at Los Alamos National Laboratory (LANL), and (3) a microwave-plasma flowing-discharge system at JSC. The Space Shuttle and the high velocity atom beam systems produce atom-surface collision energies ranging from 0.1 to 7 eV (hyperthermal atoms) under high-vacuum conditions, while the flowing discharge system produces a 0.065 eV surface collision energy at a total pressure of 2 Torr. Data obtained in the three different O-atom environments referred to above show that the rate of O-atom reaction with polymeric materials is strongly dependent on atom kinetic energy, obeying a reactive scattering law which suggests that atom kinetic energy is directly available for overcoming activation barriers in the reaction. General relationships between polymer reactivity with O atoms and polymer composition and molecular structure have been determined. In addition, vacuum ultraviolet photochemical effects have been shown to dominate the reaction of O atoms with fluorocarbon polymers. Finally, studies of the materials chemistry of O atoms have produced results which may be of interest to technologists outside the aerospace industry. Atomic oxygen 'spin-off' or 'dual use' technologies in the areas of anisotropic etching in microelectronic materials and device processing, as well as surface chemistry engineering of porous solid materials are described.

Spacecraft thermal energy accommodation from atomic recombination

NASA Technical Reports Server (NTRS)

Carleton, Karen L.; Marinelli, William J.

1991-01-01

Measurements of atomic recombination probabilities important in determining energy release to reusable spacecraft thermal protection surfaces during reentry are presented. An experimental apparatus constructed to examine recombination of atomic oxygen from thermal protection and reference materials at reentry temperatures is described. The materials are examined under ultrahigh vacuum conditions to develop and maintain well characterized surface conditions that are free of contamination. When compared with stagnation point heat transfer measurements performed in arc jet facilities, these measurements indicate that a significant fraction of the excess energy available from atom recombination is removed from the surface as metastable O2.

Atomic states in optical traps near a planar surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Messina, Riccardo; Pelisson, Sophie; Angonin, Marie-Christine

2011-05-15

In this paper, we discuss the atomic states in a vertical optical lattice in proximity of a surface. We study the modifications to the ordinary Wannier-Stark states in the presence of a surface, and we characterize the energy shifts produced by the Casimir-Polder interaction between atom and mirror. In this context, we introduce an effective model describing the finite size of the atom in order to regularize the energy corrections. In addition, the modifications to the energy levels due to a hypothetical non-Newtonian gravitational potential as well as their experimental observability are investigated.

Atomic Oxygen Durability Evaluation of Protected Polymers Using Thermal Energy Plasma Systems

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Rutledge, Sharon K.; Degroh, Kim K.; Stidham, Curtis R.; Gebauer, Linda; Lamoreaux, Cynthia M.

1995-01-01

The durability evaluation of protected polymers intended for use in low Earth orbit (LEO) has necessitated the use of large-area, high-fluence, atomic oxygen exposure systems. Two thermal energy atomic oxygen exposure systems which are frequently used for such evaluations are radio frequency (RF) plasma ashers and electron cyclotron resonance plasma sources. Plasma source testing practices such as ample preparation, effective fluence prediction, atomic oxygen flux determination, erosion measurement, operational considerations, and erosion yield measurements are presented. Issues which influence the prediction of in-space durability based on ground laboratory thermal energy plasma system testing are also addressed.

Product energy distributions and energy partitioning in O atom reactions on surfaces

NASA Technical Reports Server (NTRS)

Halpern, Bret; Kori, Moris

1987-01-01

Surface reactions involving O atoms are likely to be highly exoergic, with different consequences if energy is channeled mostly to product molecules or surface modes. Thus the surface may become a source of excited species which can react elsewhere, or a sink for localized heat deposition which may disrupt the surface. The vibrational energy distribution of the product molecule contains strong clues about the flow of released energy. Two instructive examples of energy partitioning at surfaces are the Pt catalyzed oxidations: (1) C(ads) + O(ads) yields CO* (T is greater than 1000 K); and (2) CO(ads) + O(gas) yields CO2* (T is approx. 300 K). The infrared emission spectra of the excited product molecules were recorded and the vibrational population distributions were determined. In reaction 1, energy appeared to be statistically partitioned between the product CO and several Pt atoms. In reaction 2, partitioning was non-statistical; the CO2 asymmetric stretch distribution was inverted. In gas reactions these results would indicate a long lived and short lived activated complex. The requirement that Pt be heated in O atoms to promote reaction of atomic O and CO at room temperature is specifically addressed. Finally, the fraction of released energy that is deposited in the catalyst is estimated.

Synthetic fuels development: earth-science considerations

USGS Publications Warehouse

Rickert, D. A.; Ulman, W.J.; Hampton, E.R.

1979-01-01

The current energy crisis is affecting the lives of all Americans. Continued increases in energy prices and frequent shortages are stark reminders of our growing dependence on foreign energy resources in today's energy-hungry world. A comprehensive national energy policy must consider a variety of energy resources, including synfuels, to meet future energy needs.

Diffusion and the Thermal Stability of Amorphous Copper-Zirconium

NASA Astrophysics Data System (ADS)

Stelter, Eric Carl

Measurements have been made of diffusion and thermal relaxation in amorphous Cu(,50)Zr(,50). Samples were prepared by melt-spinning under vacuum. Diffusion measurements were made over the temperature range from 317 to 385 C, using Ag and Au as substitutional impurities, by means of Auger electron spectrometry (AES) and Rutherford backscattering spectrometry (RBS). Thermal measurements were made by differential scanning calorimetry (DSC) up to 550 C. The diffusion coefficients of Ag and Au in amorphous Cu(,50)Zr(,50) are found to be somewhat higher than, but very close in magnitude to the coefficient of self-diffusion in crystalline Cu at the same temperatures. The activation energies for diffusion in the amorphous alloy are 0.72 to 1.55 eV/atom, much closer to the activation energy for self-diffusion in liquid Cu, 0.42 eV/atom, than that for the crystalline solid, 2.19 eV/atom. The mechanism for diffusion in the amorphous metal is presumably quite different from the monovacancy mechanism dominant in the crystalline solid. The pre-exponential terms are found to be extremely small, on the order of 10('-10) to 10('-11) cm('2)/sec for Ag diffusion. This indicates that diffusion in amorphous Cu(,50)Zr(,50) may involve an extended defect of 10 or more atoms. Analysis of the data in terms of the free -volume model also lends strength to this conclusion and indicates that the glass is composed of liquid-like clusters of 15 to 20 atoms. The initial stage of relaxation in amorphous CuZr occurs with a spectrum of activation energies. The lowest activation energy involved, 0.78 eV/atom, is almost identical to the average activation energy of Ag diffusion in the glass, 0.77 eV/atom, indicating that relaxation occurs primarily through diffusion. The activation energy of crystallization, determined by Kissinger's method, is 3.10 eV/atom. The large difference, on the order of 2.3 eV/atom, between the activation energies of crystallization and diffusion is attributed to the energy required to nucleate the crystalline phase.

10 CFR 1050.202 - Allowable acceptance of gifts.

Code of Federal Regulations, 2014 CFR

2014-01-01

...-related international organizations (e.g., the Nuclear Energy Agency and the International Energy Agency... 10 Energy 4 2014-01-01 2014-01-01 false Allowable acceptance of gifts. 1050.202 Section 1050.202 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) FOREIGN GIFTS AND DECORATIONS Guidelines for Acceptance...

10 CFR 1050.202 - Allowable acceptance of gifts.

Code of Federal Regulations, 2012 CFR

2012-01-01

...-related international organizations (e.g., the Nuclear Energy Agency and the International Energy Agency... 10 Energy 4 2012-01-01 2012-01-01 false Allowable acceptance of gifts. 1050.202 Section 1050.202 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) FOREIGN GIFTS AND DECORATIONS Guidelines for Acceptance...

10 CFR 1050.202 - Allowable acceptance of gifts.

Code of Federal Regulations, 2013 CFR

2013-01-01

...-related international organizations (e.g., the Nuclear Energy Agency and the International Energy Agency... 10 Energy 4 2013-01-01 2013-01-01 false Allowable acceptance of gifts. 1050.202 Section 1050.202 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) FOREIGN GIFTS AND DECORATIONS Guidelines for Acceptance...

10 CFR 1050.202 - Allowable acceptance of gifts.

Code of Federal Regulations, 2010 CFR

2010-01-01

...-related international organizations (e.g., the Nuclear Energy Agency and the International Energy Agency... 10 Energy 4 2010-01-01 2010-01-01 false Allowable acceptance of gifts. 1050.202 Section 1050.202 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) FOREIGN GIFTS AND DECORATIONS Guidelines for Acceptance...

10 CFR 1050.202 - Allowable acceptance of gifts.

Code of Federal Regulations, 2011 CFR

2011-01-01

...-related international organizations (e.g., the Nuclear Energy Agency and the International Energy Agency... 10 Energy 4 2011-01-01 2011-01-01 false Allowable acceptance of gifts. 1050.202 Section 1050.202 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) FOREIGN GIFTS AND DECORATIONS Guidelines for Acceptance...

Using Uncertainty Principle to Find the Ground-State Energy of the Helium and a Helium-like Hookean Atom

ERIC Educational Resources Information Center

Harbola, Varun

2011-01-01

In this paper, we accurately estimate the ground-state energy and the atomic radius of the helium atom and a helium-like Hookean atom by employing the uncertainty principle in conjunction with the variational approach. We show that with the use of the uncertainty principle, electrons are found to be spread over a radial region, giving an electron…

Unfavorable regions in the ramachandran plot: Is it really steric hindrance? The interacting quantum atoms perspective.

PubMed

Maxwell, Peter I; Popelier, Paul L A

2017-11-05

Accurate description of the intrinsic preferences of amino acids is important to consider when developing a biomolecular force field. In this study, we use a modern energy partitioning approach called Interacting Quantum Atoms to inspect the cause of the φ and ψ torsional preferences of three dipeptides (Gly, Val, and Ile). Repeating energy trends at each of the molecular, functional group, and atomic levels are observed across both (1) the three amino acids and (2) the φ/ψ scans in Ramachandran plots. At the molecular level, it is surprisingly electrostatic destabilization that causes the high-energy regions in the Ramachandran plot, not molecular steric hindrance (related to the intra-atomic energy). At the functional group and atomic levels, the importance of key peptide atoms (O i -1 , C i , N i , N i +1 ) and some sidechain hydrogen atoms (H γ ) are identified as responsible for the destabilization seen in the energetically disfavored Ramachandran regions. Consistently, the O i -1 atoms are particularly important for the explanation of dipeptide intrinsic behavior, where electrostatic and steric destabilization unusually complement one another. The findings suggest that, at least for these dipeptides, it is the peptide group atoms that dominate the intrinsic behavior, more so than the sidechain atoms. © 2017 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. © 2017 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.

Support effects on adsorption and catalytic activation of O2 in single atom iron catalysts with graphene-based substrates.

PubMed

Gao, Zheng-Yang; Yang, Wei-Jie; Ding, Xun-Lei; Lv, Gang; Yan, Wei-Ping

2018-03-07

The adsorption and catalytic activation of O 2 on single atom iron catalysts with graphene-based substrates were investigated systematically by density functional theory calculation. It is found that the support effects of graphene-based substrates have a significant influence on the stability of the single atom catalysts, the adsorption configuration, the electron transfer mechanism, the adsorption energy and the energy barrier. The differences in the stable adsorption configuration of O 2 on single atom iron catalysts with different graphene-based substrates can be well understood by the symmetrical matching principle based on frontier molecular orbital analysis. There are two different mechanisms of electron transfer, in which the Fe atom acts as the electron donor in single vacancy graphene-based substrates while the Fe atom mainly acts as the bridge for electron transfer in double vacancy graphene-based substrates. The Fermi softness and work function are good descriptors of the adsorption energy and they can well reveal the relationship between electronic structure and adsorption energy. This single atom iron catalyst with single vacancy graphene modified by three nitrogen atoms is a promising non-noble metal single atom catalyst in the adsorption and catalytic oxidation of O 2 . Furthermore, the findings can lay the foundation for the further study of graphene-based support effects and provide a guideline for the development and design of new non-noble-metal single atom catalysts.

48 CFR 925.901 - Omission of the audit clause.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Omission of the audit clause. 925.901 Section 925.901 Federal Acquisition Regulations System DEPARTMENT OF ENERGY SOCIOECONOMIC PROGRAMS FOREIGN ACQUISITION Additional Foreign Acquisition Clauses 925.901 Omission of the audit clause...

First-principles study of structure, electronic properties and stability of tungsten adsorption on TiC(111) surface with disordered vacancies

NASA Astrophysics Data System (ADS)

Ilyasov, Victor V.; Pham, Khang D.; Zhdanova, Tatiana P.; Phuc, Huynh V.; Hieu, Nguyen N.; Nguyen, Chuong V.

2017-12-01

In this paper, we systematically investigate the atomic structure, electronic and thermodynamic properties of adsorbed W atoms on the polar Ti-terminated TixCy (111) surface with different configurations of adsorptions using first principle calculations. The bond length, adsorption energy, and formation energy for different reconstructions of the atomic structure of the W/TixCy (111) systems were established. The effect of the tungsten coverage on the electronic structure and the adsorption mechanism of tungsten atom on the TixCy (111) are also investigated. We also suggest the possible mechanisms of W nucleation on the TixCy (111) surface. The effective charges on W atoms and nearest-neighbor atoms in the examined reconstructions were identified. Additionally, we have established the charge transfer from titanium atom to tungsten and carbon atoms which determine by the reconstruction of the local atomic and electronic structures. Our calculations showed that the charge transfer correlates with the electronegativity of tungsten and nearest-neighbor atoms. We also determined the effective charge per atom of titanium, carbon atoms, and neighboring adsorbed tungsten atom in different binding configurations. We found that, with reduction of the lattice symmetry associated with titanium and carbon vacancies, the adsorption energy increases by 1.2 times in the binding site A of W/TixCy systems.

The Atomization Energy of Mg4

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Arnold, James O. (Technical Monitor)

1999-01-01

The atomization energy of Mg4 is determined using the MP2 and CCSD(T) levels of theory. Basis set incompleteness, basis set extrapolation, and core-valence effects are discussed. Our best atomization energy, including the zero-point energy and scalar relativistic effects, is 24.6+/-1.6 kcal per mol. Our computed and extrapolated values are compared with previous results, where it is observed that our extrapolated MP2 value is good agreement with the MP2-R12 value. The CCSD(T) and MP2 core effects are found to have the opposite signs.

Interactions of satellite-speed helium atoms with satellite surfaces. 3: Drag coefficients from spatial and energy distributions of reflected helium atoms

NASA Technical Reports Server (NTRS)

Sharma, P. K.; Knuth, E. L.

1977-01-01

Spatial and energy distributions of helium atoms scattered from an anodized 1235-0 aluminum surface as well as the tangential and normal momentum accommodation coefficients calculated from these distributions are reported. A procedure for calculating drag coefficients from measured values of spatial and energy distributions is given. The drag coefficient calculated for a 6061 T-6 aluminum sphere is included.

Translations from the Soviet Journal of Atomic Energy

DTIC Science & Technology

1962-02-15

constructing a new communist society. Atomic energy, i4n its role of a new and powerful source of highly con •entrated energy, can effect a con- siderable...problem have provided sufficient evidence of the perni- cious effects of radioactive contamination on humanbeings and require the development of special...be necessary to effect a considerable decrease in the cost of electrical power pro- duced at atomic electric power, stations. One of the most

Is Einstein the Father of the Atomic Bomb

NASA Astrophysics Data System (ADS)

Lustig, Harry

2009-05-01

Soon after the American atomic bombs were dropped on Hiroshima and Nagasaki, the notion took hold in the popular mind that Albert Einstein was ``the father of the bomb.'' The claim of paternity rests on the belief that E=mc2 is what makes the release of enormous amounts of energy in the fission process possible and that the atomic bomb could not have been built without it. This is a misapprehension. Most physicists have known that all along. Nevertheless in his reaction to the opera Dr. Atomic, a prominent physicist claimed that Einstein's discovery that matter can be transformed into energy ``is precisely what made the bomb possible.'' In fact what makes the fission reaction and one of its applications,the atomic bomb, possible is the smaller binding energies of fission products compared to the binding energies of the nuclei that undergo fission.The binding energies of nuclei are a well understood consequence of the numbers and arrangements of protons and neutrons in the nucleus and of quantum-mechanical effects. The realization that composite systems have binding energies predates relativity. In the 19th century they were ascribed to potential and other forms of energy that reside in the system. With Einstein they became rest mass energy. While E=mc2 is not the cause of fission, measuring the masses of the participants in the reaction does permit an easy calculation of the kinetic energy that is released.

Atomic electron energies including relativistic effects and quantum electrodynamic corrections

NASA Technical Reports Server (NTRS)

Aoyagi, M.; Chen, M. H.; Crasemann, B.; Huang, K. N.; Mark, H.

1977-01-01

Atomic electron energies have been calculated relativistically. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all orbitals in all atoms with 2 less than or equal to Z less than or equal to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. These results will serve for detailed comparison of calculations based on other approaches. The magnitude of quantum electrodynamic corrections is exhibited quantitatively for each state.

Gazprom and Russia: The economic rationality of Russian foreign energy policy

NASA Astrophysics Data System (ADS)

Kaloudis, Stergos Carl Thornton

Charges of imperialism underpinned by coercive economic tactics are some of the accusations leveled against Vladimir Putin's foreign energy policy during his presidential tenure. However, after the traditional policies of coercion failed to secure Russian interests in Europe during the 1990's, this dissertation argues Putin adopted a radically different approach upon his rise to the Presidency. Driven by public demand to continue the domestic subsidization of natural gas and realizing that the chief avenue for securing revenue was in gas sales to Europe, this project suggests that Putin developed a new foreign energy policy approach meant to secure Russian interests. This transformation was accomplished by the Presidential Administration's efforts during Putin's tenure to bring the Russian natural gas monopoly, Gazprom, under its control. Dubbed Persuasive Politics, this paradigm suggests that the foreign energy policies of the Presidential Administration and Gazprom during Putin's tenure were underpinned by the rational economic argument that the only route to Russian resurgence in the medium term was through profitable economic relations with the European states. To test this theoretical approach the author employs a case study analysis of Russian relations with the European Union member state Greece as well as the non-EU state of Ukraine. The intent is to identify how a mutually beneficial relationship was constructed to persuade both governments through the utilization of economic inducements that cooperation with Russia in the natural gas sphere was in their own best interest.

Beyond Point Charges: Dynamic Polarization from Neural Net Predicted Multipole Moments.

PubMed

Darley, Michael G; Handley, Chris M; Popelier, Paul L A

2008-09-09

Intramolecular polarization is the change to the electron density of a given atom upon variation in the positions of the neighboring atoms. We express the electron density in terms of multipole moments. Using glycine and N-methylacetamide (NMA) as pilot systems, we show that neural networks can capture the change in electron density due to polarization. After training, modestly sized neural networks successfully predict the atomic multipole moments from the nuclear positions of all atoms in the molecule. Accurate electrostatic energies between two atoms can be then obtained via a multipole expansion, inclusive of polarization effects. As a result polarization is successfully modeled at short-range and without an explicit polarizability tensor. This approach puts charge transfer and multipolar polarization on a common footing. The polarization procedure is formulated within the context of quantum chemical topology (QCT). Nonbonded atom-atom interactions in glycine cover an energy range of 948 kJ mol(-1), with an average energy difference between true and predicted energy of 0.2 kJ mol(-1), the largest difference being just under 1 kJ mol(-1). Very similar energy differences are found for NMA, which spans a range of 281 kJ mol(-1). The current proof-of-concept enables the construction of a new protein force field that incorporates electron density fragments that dynamically respond to their fluctuating environment.

15 CFR 9.9 - Consumer education.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 15 Commerce and Foreign Trade 1 2011-01-01 2011-01-01 false Consumer education. 9.9 Section 9.9 Commerce and Foreign Trade Office of the Secretary of Commerce PROCEDURES FOR A VOLUNTARY LABELING PROGRAM FOR HOUSEHOLD APPLIANCES AND EQUIPMENT TO EFFECT ENERGY CONSERVATION § 9.9 Consumer education. The...

22 CFR 9a.4 - Classification.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 22 Foreign Relations 1 2013-04-01 2013-04-01 false Classification. 9a.4 Section 9a.4 Foreign... ENERGY PROGRAMS; RELATED MATERIAL § 9a.4 Classification. (a) Section 1 of E.O. 11932, August 4, 1976.... If the officer determines that the information or material warrants classification, he shall assign...

22 CFR 9a.4 - Classification.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 22 Foreign Relations 1 2012-04-01 2012-04-01 false Classification. 9a.4 Section 9a.4 Foreign... ENERGY PROGRAMS; RELATED MATERIAL § 9a.4 Classification. (a) Section 1 of E.O. 11932, August 4, 1976.... If the officer determines that the information or material warrants classification, he shall assign...

22 CFR 9a.4 - Classification.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 22 Foreign Relations 1 2014-04-01 2014-04-01 false Classification. 9a.4 Section 9a.4 Foreign... ENERGY PROGRAMS; RELATED MATERIAL § 9a.4 Classification. (a) Section 1 of E.O. 11932, August 4, 1976.... If the officer determines that the information or material warrants classification, he shall assign...

15 CFR 9.9 - Consumer education.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 15 Commerce and Foreign Trade 1 2012-01-01 2012-01-01 false Consumer education. 9.9 Section 9.9 Commerce and Foreign Trade Office of the Secretary of Commerce PROCEDURES FOR A VOLUNTARY LABELING PROGRAM FOR HOUSEHOLD APPLIANCES AND EQUIPMENT TO EFFECT ENERGY CONSERVATION § 9.9 Consumer education. The...

15 CFR 9.9 - Consumer education.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 15 Commerce and Foreign Trade 1 2013-01-01 2013-01-01 false Consumer education. 9.9 Section 9.9 Commerce and Foreign Trade Office of the Secretary of Commerce PROCEDURES FOR A VOLUNTARY LABELING PROGRAM FOR HOUSEHOLD APPLIANCES AND EQUIPMENT TO EFFECT ENERGY CONSERVATION § 9.9 Consumer education. The...

15 CFR 9.9 - Consumer education.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 15 Commerce and Foreign Trade 1 2014-01-01 2014-01-01 false Consumer education. 9.9 Section 9.9 Commerce and Foreign Trade Office of the Secretary of Commerce PROCEDURES FOR A VOLUNTARY LABELING PROGRAM FOR HOUSEHOLD APPLIANCES AND EQUIPMENT TO EFFECT ENERGY CONSERVATION § 9.9 Consumer education. The...

78 FR 21046 - Amendment to Rule Filing Requirements for Dually-Registered Clearing Agencies

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-09

... relating to foreign currency, or, in general, any instrument commonly known as a `security'; or any..., potentially, energy and foreign exchange swaps.\\35\\ CME raised concerns that, by omitting swaps and certain... substantial potential delays'' when implementing rule changes that deal with products over which the...

15 CFR 9.2 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 15 Commerce and Foreign Trade 1 2010-01-01 2010-01-01 false Definitions. 9.2 Section 9.2 Commerce and Foreign Trade Office of the Secretary of Commerce PROCEDURES FOR A VOLUNTARY LABELING PROGRAM FOR HOUSEHOLD APPLIANCES AND EQUIPMENT TO EFFECT ENERGY CONSERVATION § 9.2 Definitions. (a) The term Secretary...

15 CFR 9.9 - Consumer education.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 15 Commerce and Foreign Trade 1 2010-01-01 2010-01-01 false Consumer education. 9.9 Section 9.9 Commerce and Foreign Trade Office of the Secretary of Commerce PROCEDURES FOR A VOLUNTARY LABELING PROGRAM FOR HOUSEHOLD APPLIANCES AND EQUIPMENT TO EFFECT ENERGY CONSERVATION § 9.9 Consumer education. The...

22 CFR 9a.4 - Classification.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 22 Foreign Relations 1 2010-04-01 2010-04-01 false Classification. 9a.4 Section 9a.4 Foreign... ENERGY PROGRAMS; RELATED MATERIAL § 9a.4 Classification. (a) Section 1 of E.O. 11932, August 4, 1976.... If the officer determines that the information or material warrants classification, he shall assign...

22 CFR 9a.4 - Classification.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 22 Foreign Relations 1 2011-04-01 2011-04-01 false Classification. 9a.4 Section 9a.4 Foreign... ENERGY PROGRAMS; RELATED MATERIAL § 9a.4 Classification. (a) Section 1 of E.O. 11932, August 4, 1976.... If the officer determines that the information or material warrants classification, he shall assign...

H(D) → D(H) + Cu(111) collision system: Molecular dynamics study of surface temperature effects

PubMed Central

Vurdu, Can D.; Güvenç, Ziya B.

2011-01-01

All the channels of the reaction dynamics of gas-phase H (or D) atoms with D (or H) atoms adsorbed onto a Cu(111) surface have been studied by quasiclassical constant energy molecular dynamics simulations. The surface is flexible and is prepared at different temperature values, such as 30 K, 94 K, and 160 K. The adsorbates were distributed randomly on the surface to create 0.18 ML, 0.28 ML, and 0.50 ML of coverages. The multi-layer slab is mimicked by a many-body embedded-atom potential energy function. The slab atoms can move according to the exerted external forces. Treating the slab atoms non-rigid has an important effect on the dynamics of the projectile atom and adsorbates. Significant energy transfer from the projectile atom to the surface lattice atoms takes place especially during the first impact that modifies significantly the details of the dynamics of the collisions. Effects of the different temperatures of the slab are investigated in this study. Interaction between the surface atoms and the adsorbates is modeled by a modified London–Eyring–Polanyi–Sato (LEPS) function. The LEPS parameters are determined by using the total energy values which were calculated by a density functional theory and a generalized gradient approximation for an exchange-correlation energy for many different orientations, and locations of one- and two-hydrogen atoms on the Cu(111) surface. The rms value of the fitting procedure is about 0.16 eV. Many different channels of the processes on the surface have been examined, such as inelastic reflection of the incident hydrogen, subsurface penetration of the incident projectile and adsorbates, sticking of the incident atom on the surface. In addition, hot-atom and Eley-Rideal direct processes are investigated. The hot-atom process is found to be more significant than the Eley-Rideal process. Furthermore, the rate of subsurface penetration is larger than the sticking rate on the surface. In addition, these results are compared and analyzed as a function of the surface temperatures. PMID:21528959

H(D) → D(H) + Cu(111) collision system: molecular dynamics study of surface temperature effects.

PubMed

Vurdu, Can D; Güvenç, Ziya B

2011-04-28

All the channels of the reaction dynamics of gas-phase H (or D) atoms with D (or H) atoms adsorbed onto a Cu(111) surface have been studied by quasiclassical constant energy molecular dynamics simulations. The surface is flexible and is prepared at different temperature values, such as 30 K, 94 K, and 160 K. The adsorbates were distributed randomly on the surface to create 0.18 ML, 0.28 ML, and 0.50 ML of coverages. The multi-layer slab is mimicked by a many-body embedded-atom potential energy function. The slab atoms can move according to the exerted external forces. Treating the slab atoms non-rigid has an important effect on the dynamics of the projectile atom and adsorbates. Significant energy transfer from the projectile atom to the surface lattice atoms takes place especially during the first impact that modifies significantly the details of the dynamics of the collisions. Effects of the different temperatures of the slab are investigated in this study. Interaction between the surface atoms and the adsorbates is modeled by a modified London-Eyring-Polanyi-Sato (LEPS) function. The LEPS parameters are determined by using the total energy values which were calculated by a density functional theory and a generalized gradient approximation for an exchange-correlation energy for many different orientations, and locations of one- and two-hydrogen atoms on the Cu(111) surface. The rms value of the fitting procedure is about 0.16 eV. Many different channels of the processes on the surface have been examined, such as inelastic reflection of the incident hydrogen, subsurface penetration of the incident projectile and adsorbates, sticking of the incident atom on the surface. In addition, hot-atom and Eley-Rideal direct processes are investigated. The hot-atom process is found to be more significant than the Eley-Rideal process. Furthermore, the rate of subsurface penetration is larger than the sticking rate on the surface. In addition, these results are compared and analyzed as a function of the surface temperatures.

Unique Reactivity of Transition Metal Atoms Embedded in Graphene to CO, NO, O₂ and O Adsorption: A First-Principles Investigation.

PubMed

Chu, Minmin; Liu, Xin; Sui, Yanhui; Luo, Jie; Meng, Changgong

2015-10-27

Taking the adsorption of CO, NO, O₂ and O as probes, we investigated the electronic structure of transition metal atoms (TM, TM = Fe, Co, Ni, Cu and Zn) embedded in graphene by first-principles-based calculations. We showed that these TM atoms can be effectively stabilized on monovacancy defects on graphene by forming plausible interactions with the C atoms associated with dangling bonds. These interactions not only give rise to high energy barriers for the diffusion and aggregation of the embedded TM atoms to withstand the interference of reaction environments, but also shift the energy levels of TM-d states and regulate the reactivity of the embedded TM atoms. The adsorption of CO, NO, O₂ and O correlates well with the weight averaged energy level of TM-d states, showing the crucial role of interfacial TM-C interactions on manipulating the reactivity of embedded TM atoms. These findings pave the way for the developments of effective monodispersed atomic TM composites with high stability and desired performance for gas sensing and catalytic applications.

10 CFR 8.2 - Interpretation of Price-Anderson Act, section 170 of the Atomic Energy Act of 1954.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 1 2012-01-01 2012-01-01 false Interpretation of Price-Anderson Act, section 170 of the Atomic Energy Act of 1954. 8.2 Section 8.2 Energy NUCLEAR REGULATORY COMMISSION INTERPRETATIONS § 8.2... in Nuclear Energy 75 (1959). In the testimony before the Joint Committee last year, Professor Samuel...

10 CFR 8.2 - Interpretation of Price-Anderson Act, section 170 of the Atomic Energy Act of 1954.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Interpretation of Price-Anderson Act, section 170 of the Atomic Energy Act of 1954. 8.2 Section 8.2 Energy NUCLEAR REGULATORY COMMISSION INTERPRETATIONS § 8.2... in Nuclear Energy 75 (1959). In the testimony before the Joint Committee last year, Professor Samuel...

Variable energy, high flux, ground-state atomic oxygen source

NASA Technical Reports Server (NTRS)

Chutjian, Ara (Inventor); Orient, Otto J. (Inventor)

1987-01-01

A variable energy, high flux atomic oxygen source is described which is comprised of a means for producing a high density beam of molecules which will emit O(-) ions when bombarded with electrons; a means of producing a high current stream of electrons at a low energy level passing through the high density beam of molecules to produce a combined stream of electrons and O(-) ions; means for accelerating the combined stream to a desired energy level; means for producing an intense magnetic field to confine the electrons and O(-) ions; means for directing a multiple pass laser beam through the combined stream to strip off the excess electrons from a plurality of the O(-) ions to produce ground-state O atoms within the combined stream; electrostatic deflection means for deflecting the path of the O(-) ions and the electrons in the combined stream; and, means for stopping the O(-) ions and the electrons and for allowing only the ground-state O atoms to continue as the source of the atoms of interest. The method and apparatus are also adaptable for producing other ground-state atoms and/or molecules.

Speed, Dissipation, and Accuracy in Early T-cell Recognition

NASA Astrophysics Data System (ADS)

Cui, Wenping; Mehta, Pankaj

In the immune system, T cells can perform self-foreign discrimination with great foreign ligand sensitivity, high decision speed and low energy cost. There is significant evidence T-cells achieve such great performance with a mechanism: kinetic proofreading(KPR). KPR-based mechanisms actively consume energy to increase the specificity of T-cell recognition. An important theoretical question arises: how to understand trade-offs and fundamental limits on accuracy, speed, and dissipation (energy consumption). Recent theoretical work suggests that it is always possible to reduce the the error of KPR-based mechanisms by waiting longer and/or consuming more energy. Surprisingly, we find that this is not the case and that there actually exists an optimal point in the speed-energy-accuracy plane for KPR and its generalizations. This work was supported by NIH R35 and Simons MMLS Grant.

Potential Energy Curves and Transport Properties for the Interaction of He with Other Ground-state Atoms

NASA Technical Reports Server (NTRS)

Partridge, Harry; Stallcop, James R.; Levin, Eugene; Arnold, Jim (Technical Monitor)

2001-01-01

The interactions of a He atom with a heavier atom are examined for 26 different elements, which are consecutive members selected from three rows (Li - Ne, Na - Ar, and K,Ca, Ga - Kr) and column 12 (Zn,Cd) of the periodic table. Interaction energies are determined wing high-quality ab initio calculations for the states of the molecule that would be formed from each pair of atoms in their ground states. Potential energies are tabulated for a broad range of Interatomic separation distances. The results show, for example, that the energy of an alkali interaction at small separations is nearly the same as that of a rare-gas interaction with the same electron configuration for the dosed shells. Furthermore, the repulsive-range parameter for this region is very short compared to its length for the repulsion dominated by the alkali-valence electron at large separations (beyond about 3-4 a(sub 0)). The potential energies in the region of the van der Waals minimum agree well with the most accurate results available. The ab initio energies are applied to calculate scattering cross sections and obtain the collision integrals that are needed to determine transport properties to second order. The theoretical values of Li-He total scattering cross sections and the rare-gas atom-He transport properties agree well (to within about 1%) with the corresponding measured data. Effective potential energies are constructed from the ab initio energies; the results have been shown to reproduce known transport data and can be readily applied to predict unknown transport properties for like-atom interactions.

MEAM interatomic force calculation subroutine for LAMMPS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stukowski, A.

2010-10-25

Interatomic force and energy calculation subroutine tobe used with the molecular dynamics simulation code LAMMPS (Ref a.). The code evaluates the total energy and atomic forces (energy gradient) according to cubic spine-based variant (Ref b.) of the Modified Embedded Atom Method (MEAM).

The Proposed Fissile Material Cutoff Treaty (FMCT) and Its Potential Impact on U.S. Navy Nuclear Propulsion Programs

DTIC Science & Technology

2010-03-01

his basic conclusions: These advocates of atomic energy [in 1946] were former Manhattan Project scientists familiar with the rigidity of military...Rabinowitch recalled how his father, Eugene Rabinowitch, who contributed to the Manhattan Project , had strong concerns about the use of atomic energy...plutonium production in the Manhattan Project , “was to explore how the development of atomic energy might be controlled after the war.”20 According to

Communication: Surface-to-bulk diffusion of isolated versus interacting C atoms in Ni(111) and Cu(111) substrates: A first principle investigation.

PubMed

Harpale, Abhilash; Panesi, Marco; Chew, Huck Beng

2015-02-14

Using first principle calculations, we study the surface-to-bulk diffusion of C atoms in Ni(111) and Cu(111) substrates, and compare the barrier energies associated with the diffusion of an isolated C atom versus multiple interacting C atoms. We find that the preferential Ni-C bonding over C-C bonding induces a repulsive interaction between C atoms located at diagonal octahedral voids in Ni substrates. This C-C interaction accelerates C atom diffusion in Ni with a reduced barrier energy of ∼1 eV, compared to ∼1.4-1.6 eV for the diffusion of isolated C atoms. The diffusion barrier energy of isolated C atoms in Cu is lower than in Ni. However, bulk diffusion of interacting C atoms in Cu is not possible due to the preferential C-C bonding over C-Cu bonding, which results in C-C dimer pair formation near the surface. The dramatically different C-C interaction effects within the different substrates explain the contrasting growth mechanisms of graphene on Ni(111) and Cu(111) during chemical vapor deposition.

Extensive first-principles molecular dynamics study on Li encapsulation into C60 and its experimental confirmation.

PubMed

Ohno, K; Manjanath, A; Kawazoe, Y; Hatakeyama, R; Misaizu, F; Kwon, E; Fukumura, H; Ogasawara, H; Yamada, Y; Zhang, C; Sumi, N; Kamigaki, T; Kawachi, K; Yokoo, K; Ono, S; Kasama, Y

2018-01-25

The aim of increasing the production ratio of endohedral C 60 by impinging foreign atoms against C 60 is a crucial matter of the science and technology employed towards industrialization of these functional building block materials. Among these endohedral fullerenes, Li + @C 60 exhibits a wide variety of physical and chemical phenomena and has the potential to be applicable in areas spanning the medical field to photovoltaics. However, currently, Li + @C 60 can be experimentally produced with only ∼1% ratio using the plasma shower method with a 30 eV kinetic energy provided to the impinging Li + ion. From extensive first-principles molecular dynamics simulations, it is found that the maximum production ratio of Li + @C 60 per hit is increased to about 5.1% (5.3%) when a Li + ion impinges vertically on a six-membered ring of C 60 with 30 eV (40 eV) kinetic energy, although many C 60 molecules are damaged during this collision. On the contrary, when it impinges vertically on a six-membered ring with 10 eV kinetic energy, the production ratio remains at 1.3%, but the C 60 molecules are not damaged at all. On the other hand, when the C 60 is randomly oriented, the production ratio reduces to about 3.7 ± 0.5%, 3.3 ± 0.5%, and 0.2 ± 0.03% for 30 eV, 40 eV, and 10 eV kinetic energy, respectively. Based on these observations we demonstrate the possibility of increasing the production ratio by fixing six-membered rings atop C 60 using the Cu(111) substrate or UV light irradiation. In order to assess the ideal experimental production ratio, the 7 Li solid NMR spectroscopy measurement is also performed for the multilayer randomly oriented C 60 sample irradiated by Li + using the plasma shower method combined with inductively coupled plasma atomic emission spectroscopy (ICP-AES). Time-of-flight mass spectroscopy measurements are also performed to cross check whether Li + @C 60 molecules are produced in the sample. The resulting experimental estimate, 4% for 30 eV incident kinetic energy, fully agrees with our simulation results mentioned above, suggesting the consistency and accuracy of our simulations and experiments.

Intercalation of P atoms in Fullerene-like CP x

NASA Astrophysics Data System (ADS)

Gueorguiev, G. K.; Czigány, Zs.; Furlan, A.; Stafström, S.; Hultman, L.

2011-01-01

The energy cost for P atom intercalation and corresponding structural implications during formation of Fullerene-like Phosphorus carbide (FL-CPx) were evaluated within the framework of Density Functional Theory. Single P atom interstitial defects in FL-CPx are energetically feasible and exhibit energy cost of 0.93-1.21 eV, which is comparable to the energy cost for experimentally confirmed tetragon defects and dangling bonds in CPx. A single P atom intercalation event in FL-CPx can increase the inter-sheet distance from 3.39-3.62 Å to 5.81-7.04 Å. These theoretical results are corroborated by Selected Area Electron Diffraction characterization of FL-CPx samples.

Understanding the atomic-level Green-Kubo stress correlation function for a liquid through phonons in a model crystal

NASA Astrophysics Data System (ADS)

Levashov, V. A.

2014-11-01

In order to gain insight into the connection between the vibrational dynamics and the atomic-level Green-Kubo stress correlation function in liquids, we consider this connection in a model crystal instead. Of course, vibrational dynamics in liquids and crystals are quite different and it is not expected that the results obtained on a model crystal should be valid for liquids. However, these considerations provide a benchmark to which the results of the previous molecular dynamics simulations can be compared. Thus, assuming that vibrations are plane waves, we derive analytical expressions for the atomic-level stress correlation functions in the classical limit and analyze them. These results provide, in particular, a recipe for analysis of the atomic-level stress correlation functions in Fourier space and extraction of the wave-vector and frequency-dependent information. We also evaluate the energies of the atomic-level stresses. The energies obtained are significantly smaller than the energies previously determined in molecular dynamics simulations of several model liquids. This result suggests that the average energies of the atomic-level stresses in liquids and glasses are largely determined by the structural disorder. We discuss this result in the context of equipartition of the atomic-level stress energies. Analysis of the previously published data suggests that it is possible to speak about configurational and vibrational contributions to the average energies of the atomic-level stresses in a glass state. However, this separation in a liquid state is problematic. We also introduce and briefly consider the atomic-level transverse current correlation function. Finally, we address the broadening of the peaks in the pair distribution function with increase of distance. We find that the peaks' broadening (by ≈40 % ) occurs due to the transverse vibrational modes, while contribution from the longitudinal modes does not change with distance.

A Gaussian Approximation Potential for Silicon

NASA Astrophysics Data System (ADS)

Bernstein, Noam; Bartók, Albert; Kermode, James; Csányi, Gábor

We present an interatomic potential for silicon using the Gaussian Approximation Potential (GAP) approach, which uses the Gaussian process regression method to approximate the reference potential energy surface as a sum of atomic energies. Each atomic energy is approximated as a function of the local environment around the atom, which is described with the smooth overlap of atomic environments (SOAP) descriptor. The potential is fit to a database of energies, forces, and stresses calculated using density functional theory (DFT) on a wide range of configurations from zero and finite temperature simulations. These include crystalline phases, liquid, amorphous, and low coordination structures, and diamond-structure point defects, dislocations, surfaces, and cracks. We compare the results of the potential to DFT calculations, as well as to previously published models including Stillinger-Weber, Tersoff, modified embedded atom method (MEAM), and ReaxFF. We show that it is very accurate as compared to the DFT reference results for a wide range of properties, including low energy bulk phases, liquid structure, as well as point, line, and plane defects in the diamond structure.

Electronegativity determination of individual surface atoms by atomic force microscopy.

PubMed

Onoda, Jo; Ondráček, Martin; Jelínek, Pavel; Sugimoto, Yoshiaki

2017-04-26

Electronegativity is a fundamental concept in chemistry. Despite its importance, the experimental determination has been limited only to ensemble-averaged techniques. Here, we report a methodology to evaluate the electronegativity of individual surface atoms by atomic force microscopy. By measuring bond energies on the surface atoms using different tips, we find characteristic linear relations between the bond energies of different chemical species. We show that the linear relation can be rationalized by Pauling's equation for polar covalent bonds. This opens the possibility to characterize the electronegativity of individual surface atoms. Moreover, we demonstrate that the method is sensitive to variation of the electronegativity of given atomic species on a surface due to different chemical environments. Our findings open up ways of analysing surface chemical reactivity at the atomic scale.

Electronegativity determination of individual surface atoms by atomic force microscopy

PubMed Central

Onoda, Jo; Ondráček, Martin; Jelínek, Pavel; Sugimoto, Yoshiaki

2017-01-01

Electronegativity is a fundamental concept in chemistry. Despite its importance, the experimental determination has been limited only to ensemble-averaged techniques. Here, we report a methodology to evaluate the electronegativity of individual surface atoms by atomic force microscopy. By measuring bond energies on the surface atoms using different tips, we find characteristic linear relations between the bond energies of different chemical species. We show that the linear relation can be rationalized by Pauling's equation for polar covalent bonds. This opens the possibility to characterize the electronegativity of individual surface atoms. Moreover, we demonstrate that the method is sensitive to variation of the electronegativity of given atomic species on a surface due to different chemical environments. Our findings open up ways of analysing surface chemical reactivity at the atomic scale. PMID:28443645

10 CFR 205.305 - Transferability.

Code of Federal Regulations, 2010 CFR

2010-01-01

... OF ENERGY OIL ADMINISTRATIVE PROCEDURES AND SANCTIONS Electric Power System Permits and Reports; Applications; Administrative Procedures and Sanctions Application for Authorization to Transmit Electric Energy to A Foreign Country § 205.305 Transferability. (a) An authorization to transmit electric energy from...

10 CFR 205.305 - Transferability.

Code of Federal Regulations, 2011 CFR

2011-01-01

... OF ENERGY OIL ADMINISTRATIVE PROCEDURES AND SANCTIONS Electric Power System Permits and Reports; Applications; Administrative Procedures and Sanctions Application for Authorization to Transmit Electric Energy to A Foreign Country § 205.305 Transferability. (a) An authorization to transmit electric energy from...

Probing the Structural, Electronic, and Magnetic Properties of Ag n V (n = 1-12) Clusters.

PubMed

Xiong, Ran; Die, Dong; Xiao, Lu; Xu, Yong-Gen; Shen, Xu-Ying

2017-12-16

The structural, electronic, and magnetic properties of Ag n V (n = 1-12) clusters have been studied using density functional theory and CALYPSO structure searching method. Geometry optimizations manifest that a vanadium atom in low-energy Ag n V clusters favors the most highly coordinated location. The substitution of one V atom for an Ag atom in Ag n + 1 (n ≥ 5) cluster modifies the lowest energy structure of the host cluster. The infrared spectra, Raman spectra, and photoelectron spectra of Ag n V (n = 1-12) clusters are simulated and can be used to determine the most stable structure in the future. The relative stability, dissociation channel, and chemical activity of the ground states are analyzed through atomic averaged binding energy, dissociation energy, and energy gap. It is found that V atom can improve the stability of the host cluster, Ag 2 excepted. The most possible dissociation channels are Ag n V = Ag + Ag n - 1 V for n = 1 and 4-12 and Ag n V = Ag 2  + Ag n - 2 V for n = 2 and 3. The energy gap of Ag n V cluster with odd n is much smaller than that of Ag n + 1 cluster. Analyses of magnetic property indicate that the total magnetic moment of Ag n V cluster mostly comes from V atom and varies from 1 to 5 μ B . The charge transfer between V and Ag atoms should be responsible for the change of magnetic moment.

5 CFR 352.403 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-01-01

... of Presidential Appointees and Elected Officers by the International Atomic Energy Agency § 352.403 Definitions. In this subpart: (a) Agency means the International Atomic Energy Agency; (b) Officer means any...

5 CFR 352.403 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-01-01

... of Presidential Appointees and Elected Officers by the International Atomic Energy Agency § 352.403 Definitions. In this subpart: (a) Agency means the International Atomic Energy Agency; (b) Officer means any...

5 CFR 352.403 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-01-01

... of Presidential Appointees and Elected Officers by the International Atomic Energy Agency § 352.403 Definitions. In this subpart: (a) Agency means the International Atomic Energy Agency; (b) Officer means any...

5 CFR 352.403 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-01-01

... of Presidential Appointees and Elected Officers by the International Atomic Energy Agency § 352.403 Definitions. In this subpart: (a) Agency means the International Atomic Energy Agency; (b) Officer means any...

5 CFR 352.403 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-01-01

... of Presidential Appointees and Elected Officers by the International Atomic Energy Agency § 352.403 Definitions. In this subpart: (a) Agency means the International Atomic Energy Agency; (b) Officer means any...

Resonance interatomic energy in a Schwarzschild spacetime

NASA Astrophysics Data System (ADS)

Zhou, Wenting; Yu, Hongwei

2017-08-01

We study, in the Schwarzschild spacetime, the resonance interatomic energy (RIE) of two static identical atoms with an interatomic separation L along the radial direction and correlated by a symmetric/antisymmetric entangled state. The atoms are assumed to be coupled to massless scalar fields in the Boulware, Unruh, and Hartle-Hawking vacua, and approximate analytical results are obtained both at infinity and near the horizon. Our results show that at infinity, the RIE approaches that in a flat spacetime, while, near the horizon, they can deviate dramatically from each other. Besides, different from other atomic radiative properties such as the Lamb shift of a single atom or the interatomic energy between two uncorrelated atoms, which can be obviously affected by the thermal character of quantum fields, the RIE of two atoms in a symmetric/antisymmetric entangled state in the Boulware, Unruh, and Hartle-Hawking vacua are exactly the same as a result of the fact that the RIE of two such atoms depends only on the atomic self-reaction, i.e., it does not feel the vacuum fluctuations. This suggests that the RIE of two static atoms in a symmetric/antisymmetric entangled state outside a black hole is oblivious to the Hawking radiation, in contrast to those uncorrelated atoms.

Helium behavior in oxide dispersion strengthened (ODS) steel: Insights from ab initio modeling

NASA Astrophysics Data System (ADS)

Sun, Dan; Li, Ruihuan; Ding, Jianhua; Huang, Shaosong; Zhang, Pengbo; Lu, Zheng; Zhao, Jijun

2018-02-01

Using first-principles calculations, we systemically investigate the energetics and stability behavior of helium (He) atoms and small Hen (n = 2-4) clusters inside oxide dispersion strengthened (ODS) steel, as well as the incorporation of large amount of He atoms inside Y2O3 crystal. From the energetic point of view, He atom inside Y2O3 cluster is most stable, followed by the interstitial sites at the α-Fe/Y2O3 interface, and the tetrahedral interstitial sites inside α-Fe region. We further consider Hen (n = 2-4) clusters at the tetrahedral interstitial site surrounded by four Y atoms, which is the most stable site in the ODS steel model. The incorporation energies of all these Hen clusters are lower than that of single He atom in α-Fe, while the binding energy between two He atoms is relatively small. With insertion of 15 He atoms into 80-atom unit cell of Y2O3 crystal, the incorporation energy of He atoms is still lower than that of He4 cluster in α-Fe crystal. These theoretical results suggest that He atoms tend to aggregate inside Y2O3 clusters or at the α-Fe/Y2O3 interface, which is beneficial to prevent the He embrittlement in ODS steels.

76 FR 51357 - Notice of Availability: American Assured Fuel Supply

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-18

... nonproliferation objectives by supporting civil nuclear energy development while minimizing proliferation risks... to the Atomic Energy of 1954, as amended (Pub. L. 83-703), and the Nuclear Non-Proliferation Act of... the International Atomic Energy Agency's (IAEA) International Nuclear Fuel Bank (INFB) initiative...

Vibrational Energy Transfer from Heme through Atomic Contacts in Proteins.

PubMed

Yamashita, Satoshi; Mizuno, Misao; Tran, Duy Phuoc; Dokainish, Hisham M; Kitao, Akio; Mizutani, Yasuhisa

2018-05-10

A pathway of vibrational energy flow in myoglobin was studied by time-resolved anti-Stokes ultraviolet resonance Raman spectroscopy combined with site-directed mutagenesis. Our previous study suggested that atomic contacts in proteins provide the dominant pathway for energy transfer while covalent bonds do not. In the present study, we directly examined the contributions of covalent bonds and atomic contacts to the pathway of vibrational energy flow by comparing the anti-Stokes resonance Raman spectra of two myoglobin mutants: one lacked a covalent bond between heme and the polypeptide chain and the other retained the intact bond. The two mutants showed no significant difference in temporal changes in the anti-Stokes Raman intensities of the tryptophan bands, implying that the dominant channel of vibrational energy transfer is not through the covalent bond but rather through van der Waals atomic contacts between heme and the protein moiety. The obtained insights contribute to our general understanding of energy transfer in the condensed phase.

Microscopic modeling of gas-surface scattering: II. Application to argon atom adsorption on a platinum (111) surface

NASA Astrophysics Data System (ADS)

Filinov, A.; Bonitz, M.; Loffhagen, D.

2018-06-01

A new combination of first principle molecular dynamics (MD) simulations with a rate equation model presented in the preceding paper (paper I) is applied to analyze in detail the scattering of argon atoms from a platinum (111) surface. The combined model is based on a classification of all atom trajectories according to their energies into trapped, quasi-trapped and scattering states. The number of particles in each of the three classes obeys coupled rate equations. The coefficients in the rate equations are the transition probabilities between these states which are obtained from MD simulations. While these rates are generally time-dependent, after a characteristic time scale t E of several tens of picoseconds they become stationary allowing for a rather simple analysis. Here, we investigate this time scale by analyzing in detail the temporal evolution of the energy distribution functions of the adsorbate atoms. We separately study the energy loss distribution function of the atoms and the distribution function of in-plane and perpendicular energy components. Further, we compute the sticking probability of argon atoms as a function of incident energy, angle and lattice temperature. Our model is important for plasma-surface modeling as it allows to extend accurate simulations to longer time scales.

75 FR 28555 - Executive Green ICT & Energy Efficiency Trade Mission to Mexico City, Mexico

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-21

... energy efficiency in data centers, smart grids, and green buildings will be discussed. Mission delegates... DEPARTMENT OF COMMERCE International Trade Administration Executive Green ICT & Energy Efficiency... Administration, and U.S. & Foreign Commercial Service are organizing an Executive Green ICT & Energy Efficiency...

10 CFR 205.308 - Filing schedule and annual reports.

Code of Federal Regulations, 2010 CFR

2010-01-01

....308 Energy DEPARTMENT OF ENERGY OIL ADMINISTRATIVE PROCEDURES AND SANCTIONS Electric Power System... to Transmit Electric Energy to A Foreign Country § 205.308 Filing schedule and annual reports. (a) Persons authorized to transmit electric energy from the United States shall promptly file all supplements...

10 CFR 205.306 - Authorization not exclusive.

Code of Federal Regulations, 2010 CFR

2010-01-01

... Energy DEPARTMENT OF ENERGY OIL ADMINISTRATIVE PROCEDURES AND SANCTIONS Electric Power System Permits and... Electric Energy to A Foreign Country § 205.306 Authorization not exclusive. No authorization granted... other person or entity to export electric energy or to prevent any other person or entity from making...

Building Alternative-Energy Partnerships with Latin America

DTIC Science & Technology

2007-03-30

both its National Energy Strategy and Foreign Policy. Endnotes 1 COL John Amidon, "Needed Now: A National Energy Security Manhattan Project ," Air... Manhattan Project ," Briefing to Headquarters U.S. Air Force, 21 March 2006. 30 U.S. Energy Information Agency, "International Petroleum Monthly

15 CFR 9.4 - Development of voluntary energy conservation specifications.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 15 Commerce and Foreign Trade 1 2012-01-01 2012-01-01 false Development of voluntary energy... PROCEDURES FOR A VOLUNTARY LABELING PROGRAM FOR HOUSEHOLD APPLIANCES AND EQUIPMENT TO EFFECT ENERGY CONSERVATION § 9.4 Development of voluntary energy conservation specifications. (a) The Secretary in...

15 CFR 923.13 - Energy facility planning process.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 15 Commerce and Foreign Trade 3 2010-01-01 2010-01-01 false Energy facility planning process. 923... RESOURCE MANAGEMENT COASTAL ZONE MANAGEMENT PROGRAM REGULATIONS Uses Subject to Management § 923.13 Energy facility planning process. The management program must contain a planning process for energy facilities...

15 CFR 923.13 - Energy facility planning process.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 15 Commerce and Foreign Trade 3 2012-01-01 2012-01-01 false Energy facility planning process. 923... RESOURCE MANAGEMENT COASTAL ZONE MANAGEMENT PROGRAM REGULATIONS Uses Subject to Management § 923.13 Energy facility planning process. The management program must contain a planning process for energy facilities...

15 CFR 9.4 - Development of voluntary energy conservation specifications.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 15 Commerce and Foreign Trade 1 2013-01-01 2013-01-01 false Development of voluntary energy... PROCEDURES FOR A VOLUNTARY LABELING PROGRAM FOR HOUSEHOLD APPLIANCES AND EQUIPMENT TO EFFECT ENERGY CONSERVATION § 9.4 Development of voluntary energy conservation specifications. (a) The Secretary in...

15 CFR 923.13 - Energy facility planning process.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 15 Commerce and Foreign Trade 3 2013-01-01 2013-01-01 false Energy facility planning process. 923... RESOURCE MANAGEMENT COASTAL ZONE MANAGEMENT PROGRAM REGULATIONS Uses Subject to Management § 923.13 Energy facility planning process. The management program must contain a planning process for energy facilities...

15 CFR 9.4 - Development of voluntary energy conservation specifications.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 15 Commerce and Foreign Trade 1 2011-01-01 2011-01-01 false Development of voluntary energy... PROCEDURES FOR A VOLUNTARY LABELING PROGRAM FOR HOUSEHOLD APPLIANCES AND EQUIPMENT TO EFFECT ENERGY CONSERVATION § 9.4 Development of voluntary energy conservation specifications. (a) The Secretary in...

15 CFR 923.13 - Energy facility planning process.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 15 Commerce and Foreign Trade 3 2011-01-01 2011-01-01 false Energy facility planning process. 923... RESOURCE MANAGEMENT COASTAL ZONE MANAGEMENT PROGRAM REGULATIONS Uses Subject to Management § 923.13 Energy facility planning process. The management program must contain a planning process for energy facilities...

15 CFR 923.13 - Energy facility planning process.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 15 Commerce and Foreign Trade 3 2014-01-01 2014-01-01 false Energy facility planning process. 923... RESOURCE MANAGEMENT COASTAL ZONE MANAGEMENT PROGRAM REGULATIONS Uses Subject to Management § 923.13 Energy facility planning process. The management program must contain a planning process for energy facilities...

10 CFR 205.306 - Authorization not exclusive.

Code of Federal Regulations, 2011 CFR

2011-01-01

... Energy DEPARTMENT OF ENERGY OIL ADMINISTRATIVE PROCEDURES AND SANCTIONS Electric Power System Permits and... Electric Energy to A Foreign Country § 205.306 Authorization not exclusive. No authorization granted... other person or entity to export electric energy or to prevent any other person or entity from making...

10 CFR 205.308 - Filing schedule and annual reports.

Code of Federal Regulations, 2011 CFR

2011-01-01

....308 Energy DEPARTMENT OF ENERGY OIL ADMINISTRATIVE PROCEDURES AND SANCTIONS Electric Power System... to Transmit Electric Energy to A Foreign Country § 205.308 Filing schedule and annual reports. (a) Persons authorized to transmit electric energy from the United States shall promptly file all supplements...

10 CFR Appendix A to Part 1040 - Federal Financial Assistance of the Department of Energy to Which This Part Applies

Code of Federal Regulations, 2012 CFR

2012-01-01

... Act, 42 U.S.C. 7101; Public Law 95-91. 12. Nuclear industry seminars. Atomic Energy Act of 1954, as... Non-Nuclear Energy Research and Development Act of 1974; Public Law 93-577; 68 Stat. 1894; 42 U.S.C... energy sciences, high energy and nuclear physics, and advanced technology and assessment projects. Atomic...

10 CFR Appendix A to Part 1040 - Federal Financial Assistance of the Department of Energy to Which This Part Applies

Code of Federal Regulations, 2013 CFR

2013-01-01

... Act, 42 U.S.C. 7101; Public Law 95-91. 12. Nuclear industry seminars. Atomic Energy Act of 1954, as... Non-Nuclear Energy Research and Development Act of 1974; Public Law 93-577; 68 Stat. 1894; 42 U.S.C... energy sciences, high energy and nuclear physics, and advanced technology and assessment projects. Atomic...

10 CFR Appendix A to Part 1040 - Federal Financial Assistance of the Department of Energy to Which This Part Applies

Code of Federal Regulations, 2014 CFR

2014-01-01

... Act, 42 U.S.C. 7101; Public Law 95-91. 12. Nuclear industry seminars. Atomic Energy Act of 1954, as... Non-Nuclear Energy Research and Development Act of 1974; Public Law 93-577; 68 Stat. 1894; 42 U.S.C... energy sciences, high energy and nuclear physics, and advanced technology and assessment projects. Atomic...

10 CFR Appendix A to Part 1040 - Federal Financial Assistance of the Department of Energy to Which This Part Applies

Code of Federal Regulations, 2011 CFR

2011-01-01

... Act, 42 U.S.C. 7101; Public Law 95-91. 12. Nuclear industry seminars. Atomic Energy Act of 1954, as... Non-Nuclear Energy Research and Development Act of 1974; Public Law 93-577; 68 Stat. 1894; 42 U.S.C... energy sciences, high energy and nuclear physics, and advanced technology and assessment projects. Atomic...

Experimental evidence of the decrease of kinetic energy of hadrons in passing through atomic nuclei

NASA Technical Reports Server (NTRS)

Strugalski, Z.

1985-01-01

Hadrons with kinetic energies higher than the pion production threshold lose their kinetic energies monotonically in traversing atomic nuclei, due to the strong interactions in nuclear matter. This phenomenon is a crude analogy to the energy loss of charged particles in their passage through materials. Experimental evidence is presented.

A Fifth Force: Generalized through Superconductors

NASA Technical Reports Server (NTRS)

Robertson, Glen A.

1999-01-01

The connection between the Biefield-Brown Effect, the recent repeat of the 1902 Trouton-Noble (TN) experiments, and the gravity shielding experiments was explored. This connection is visualized through high capacitive electron concentrations. From this connection, a theory is proposed that connects mass energy to gravity and a fifth force. The theory called the Gravi-Atomic Energy theory presents two new terms: Gravi-atomic energy and quantum vacuum pressure (QVP). Gravi-atomic energy is defined as the radiated mass energy, which acts on vacuum energy to create a QVP about a mass, resulting in gravity and the fifth force. The QVP emission from a superconductor was discussed followed by the description of a test for QVP from a superconductor using a Cavendish balance.

Demystifying Introductory Chemistry. Part 4: An Approach to Reaction Thermodynamics through Enthalpies, Entropies, and Free Energies of Atomization.

ERIC Educational Resources Information Center

Spencer, James N.; And Others

1996-01-01

Presents an alternative approach to teaching reaction thermodynamics in introductory chemistry courses using calculations of enthalpies, entropies, and free energies of atomization. Uses a consistent concept, that of decomposition of a compound to its gaseous atoms, to discuss not only thermodynamic parameters but also equilibrium and…

36 CFR 1260.28 - Who is responsible for declassifying records that contain information classified under the Atomic...

Code of Federal Regulations, 2011 CFR

2011-07-01

... 36 Parks, Forests, and Public Property 3 2011-07-01 2011-07-01 false Who is responsible for declassifying records that contain information classified under the Atomic Energy Act of 1954, as amended... records that contain information classified under the Atomic Energy Act of 1954, as amended, commonly...

36 CFR 1260.28 - Who is responsible for declassifying records that contain information classified under the Atomic...

Code of Federal Regulations, 2010 CFR

2010-07-01

... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Who is responsible for declassifying records that contain information classified under the Atomic Energy Act of 1954, as amended... records that contain information classified under the Atomic Energy Act of 1954, as amended, commonly...

H-Bomb Development: Decision on the Merits or Political Necessity

DTIC Science & Technology

2015-05-23

Army attempted to solidify its control of atomic energy in the post-war United States through the...capability to prevent the Soviet army from overrunning Western Europe.84 Reliance on atomic weapons combined with the recent...Robert Oppenheimer, Vol. XII, Transcript of hearing before the Personnel Security Board (Washington, DC: US Atomic Energy Commission, April 27, 1954

History of the United States Atomic Energy Commission. Volume I. 1939 / 1946, The New World

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hewlett, Richard G.; Anderson, Jr., Oscar E.

1962-01-01

Sponsored by the Historical Advisory Committee of the Atomic Energy Commission (AEC), this 2-volume series provides an unclassified history of the AEC. This volume is subtitled ''The New World'' and covers the AEC from 1939 through 1946. Volume II, is subtitled ''Atomic Shield'' and covers the years 1947 through 1952.

Energy levels for Ac-212 (Actinium-212)

NASA Astrophysics Data System (ADS)

Sukhoruchkin, S. I.; Soroko, Z. N.

This document is part of Subvolume C `Tables of Excitations of Proton- and Neutron-rich Unstable Nuclei' of Volume 19 `Nuclear States from Charged Particle Reactions' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms'. It provides energy levels for atomic nuclei of the isotope Ac-212 (actinium, atomic number Z = 89, mass number A = 212).

The Hyperfine Structure of the Ground State in the Muonic Helium Atoms

NASA Astrophysics Data System (ADS)

Aznabayev, D. T.; Bekbaev, A. K.; Korobov, V. I.

2018-05-01

Non-relativistic ionization energies 3He2+μ-e- and 4He2+μ-e- of helium-muonic atoms are calculated for ground states. The calculations are based on the variational method of the exponential expansion. Convergence of the variational energies is studied by an increasing of a number of the basis functions N. This allows to claim that the obtained energy values have 26 significant digits for ground states. With the obtained results we calculate hyperfine splitting of the muonic helium atoms.

Observation of correlated electronic decay in expanding clusters triggered by near-infrared fields

PubMed Central

Schütte, B.; Arbeiter, M.; Fennel, T.; Jabbari, G.; Kuleff, A.I.; Vrakking, M.J.J.; Rouzée, A.

2015-01-01

When an excited atom is embedded into an environment, novel relaxation pathways can emerge that are absent for isolated atoms. A well-known example is interatomic Coulombic decay, where an excited atom relaxes by transferring its excess energy to another atom in the environment, leading to its ionization. Such processes have been observed in clusters ionized by extreme-ultraviolet and X-ray lasers. Here, we report on a correlated electronic decay process that occurs following nanoplasma formation and Rydberg atom generation in the ionization of clusters by intense, non-resonant infrared laser fields. Relaxation of the Rydberg states and transfer of the available electronic energy to adjacent electrons in Rydberg states or quasifree electrons in the expanding nanoplasma leaves a distinct signature in the electron kinetic energy spectrum. These so far unobserved electron-correlation-driven energy transfer processes may play a significant role in the response of any nano-scale system to intense laser light. PMID:26469997

Peculiarities of FeSi phonon spectrum induced by a change of atomic volume

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parshin, P. P., E-mail: Parshin-PP@nrcki.ru, E-mail: neupar45@yandex.ru; Chumakov, A. I.; Alekseev, P. A.

2016-12-15

We analyze in detail the results of experimental investigations of the evolution of the thermal vibration spectra for iron atoms in iron monosilicide FeSi depending on two external parameters, viz., temperature T (in the range 46–297 K at pressure P = 0.1 MPa) and pressure P (in the range 0.1 MPa–43 GPa at temperature T = 297 K), obtained by nuclear inelastic scattering of synchrotron radiation. The decrease of the atomic volume is accompanied by a rearrangement of the phonon spectrum, which is manifested, in particular, in the splitting of the low-energy peak in the spectrum and in an increasemore » of the energy for all phonons. The changes of the average energy of the iron atom vibrational spectrum and of the Debye energy with decreasing atomic volume are analyzed. Different versions of FeSi electron spectrum variation, which can be used to explain the observed phonon anomalies, are considered.« less

Energy Facts II; Committee on Science and Technology, House of Representatives, Ninety-Fourth Congress, First Session. [Committee Print].

ERIC Educational Resources Information Center

Library of Congress, Washington, DC. Congressional Research Service.

This handbook contains a comprehensive selection of energy statistics. The first section contains information on United States and foreign energy including resources, production, consumption and demand, energy and gross national product, energy research and development, and miscellaneous data. The remaining sections contain data on energy sources…

Numerical simulation of physicochemical interactions between oxygen atom and phosphatidylcholine due to direct irradiation of atmospheric pressure nonequilibrium plasma to biological membrane with quantum mechanical molecular dynamics

NASA Astrophysics Data System (ADS)

Uchida, Satoshi; Yoshida, Taketo; Tochikubo, Fumiyoshi

2017-10-01

Plasma medicine is one of the most attractive applications using atmospheric pressure nonequilibrium plasma. With respect to direct contact of the discharge plasma with a biological membrane, reactive oxygen species play an important role in induction of medical effects. However, complicated interactions between the plasma radicals and membrane have not been understood well. In the present work, we simulated elemental processes at the first stage of physicochemical interactions between oxygen atom and phosphatidylcholine using the quantum mechanical molecular dynamics code in a general software AMBER. The change in the above processes was classified according to the incident energy of oxygen atom. At an energy of 1 eV, the abstraction of a hydrogen atom and recombination to phosphatidylcholine were simultaneously occurred in chemical attachment of incident oxygen atom. The exothermal energy of the reaction was about 80% of estimated one based on the bond energies of ethane. An oxygen atom over 10 eV separated phosphatidylcholine partially. The behaviour became increasingly similar to physical sputtering. The reaction probability of oxygen atom was remarkably high in comparison with that of hydrogen peroxide. These results suggest that we can uniformly estimate various physicochemical dynamics of reactive oxygen species against membrane lipids.

Energy of the Isolated Metastable Iron-Nickel FCC Nanocluster with a Carbon Atom in the Tetragonal Interstice.

PubMed

Bondarenko, Natalya V; Nedolya, Anatoliy V

2017-12-01

The energy of the isolated iron-nickel nanocluster was calculated by molecular mechanics method using Lennard-Jones potential. The cluster included a carbon atom that drifted from an inside octahedral interstice to a tetrahedral interstice in [Formula: see text] direction and after that in <222> direction to the surface. In addition, one of 14 iron atoms was replaced by a nickel atom, the position of which was changing during simulation.The energy of the nanocluster was estimated at the different interatomic distances. As a result of simulation, the optimal interatomic distances of Fe-Ni-C nanocluster was chosen for the simulation, in which height of the potential barrier was maximal and face-centered cubic (FCC) nanocluster was the most stable.It is shown that there were three main positions of a nickel atom that significantly affected nanocluster's energy.The calculation results indicated that position of the carbon atom in the octahedral interstice was more energetically favorable than tetrahedral interstice in the case of FCC nanocluster. On the other side, the potential barrier was smaller in the direction [Formula: see text] than in the direction <022>.This indicates that there are two ways for carbon atom to drift to the surface of the nanocluster.

Nonperturbative theory of atom-surface interaction: corrections at short separations

NASA Astrophysics Data System (ADS)

Bordag, M.; Klimchitskaya, G. L.; Mostepanenko, V. M.

2018-02-01

The nonperturbative expressions for the free energy and force of interaction between a ground-state atom and a real-material surface at any temperature are presented. The transition to the Matsubara representation is performed, whereupon the comparison is made with the commonly used perturbative results based on the standard Lifshitz theory. It is shown that the Lifshitz formulas for the free energy and force of an atom-surface interaction follow from the nonperturbative ones in the lowest order of the small parameter. Numerical computations of the free energy and force for the atoms of He{\\hspace{0pt}}\\ast and Na interacting with a surface of an Au plate have been performed using the frequency-dependent dielectric permittivity of Au and highly accurate dynamic atomic polarizabilities in the framework of both the nonperturbative and perturbative theories. According to our results, the maximum deviations between the two theories are reached at the shortest atom-surface separations of about 1 nm. Simple analytic expressions for the atom-surface free energy are derived in the classical limit and for an ideal-metal plane. In the lowest order of the small parameter, they are found in agreement with the perturbative ones following from the standard Lifshitz theory. Possible applications of the obtained results in the theory of van der Waals adsorption are discussed.

10 CFR 205.302 - Contents of application.

Code of Federal Regulations, 2011 CFR

2011-01-01

... DEPARTMENT OF ENERGY OIL ADMINISTRATIVE PROCEDURES AND SANCTIONS Electric Power System Permits and Reports; Applications; Administrative Procedures and Sanctions Application for Authorization to Transmit Electric Energy... description of the transmission facilities through which the electric energy will be delivered to the foreign...

10 CFR 205.320 - Who shall apply.

Code of Federal Regulations, 2011 CFR

2011-01-01

... OF ENERGY OIL ADMINISTRATIVE PROCEDURES AND SANCTIONS Electric Power System Permits and Reports... Construction, Connection, Operation, and Maintenance of Facilities for Transmission of Electric Energy at... United States, for the transmission of electric energy between the United States and a foreign country...